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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[4-[(2S)-3-oxidanyl-2-(phenylsulfonylamino)propanoyl]piperazin-1-yl]pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-hydroxy-1-oxopropyl]-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C28H34N4O6S2 MolecularWeight: 586.72276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O6S2/c1-19(2)16-22(29-26(34)25-17-20-8-6-7-11-24(20)39-25)27(35)31-12-14-32(15-13-31)28(36)23(18-33)30-40(37,38)21-9-4-3-5-10-21/h3-11,17,19,22-23,30,33H,12-16,18H2,1-2H3,(H,29,34)/t22-,23-/m0/s1