N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]-3-oxidanyl-propanoyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]-3-oxidanyl-propanoyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonyl-methylamino]-3-hydroxy-1-oxopropyl]-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonyl-methylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C29H34Cl2N4O6S2 MolecularWeight: 669.63946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)N(C)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCN(CC1)C(=O)[C@H](CO)N(C)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C29H34Cl2N4O6S2/c1-18(2)14-22(32-27(37)25-15-19-6-4-5-7-24(19)42-25)28(38)34-10-12-35(13-11-34)29(39)23(17-36)33(3)43(40,41)26-9-8-20(30)16-21(26)31/h4-9,15-16,18,22-23,36H,10-14,17H2,1-3H3,(H,32,37)/t22-,23-/m0/s1