N-[(2S)-1-[3-[(4-chlorophenyl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(4-chlorophenyl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(4-chlorophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(4-chlorophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(4-chlorophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(4-chlorophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C25H30ClN3O4S2 MolecularWeight: 536.1064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=CC=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C)S(=O)(=O)C1=CC=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C25H30ClN3O4S2/c1-17(2)15-21(28-25(31)23-16-18-7-4-5-8-22(18)34-23)24(30)27-13-6-14-29(3)35(32,33)20-11-9-19(26)10-12-20/h4-5,7-12,16-17,21H,6,13-15H2,1-3H3,(H,27,30)(H,28,31)/t21-/m0/s1