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

Systemtic Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylamino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3,3-dimethyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-4,4-dimethyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-4,4-dimethyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3,3-dimethyl-butyl]benzothiophene-2-carboxamide Formula: C27H32N4O4S2 MolecularWeight: 540.69738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C[C@@H](C(=O)NCCCN(C)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C27H32N4O4S2/c1-27(2,3)17-21(30-26(33)23-16-19-10-5-7-12-22(19)36-23)25(32)29-14-9-15-31(4)37(34,35)24-13-8-6-11-20(24)18-28/h5-8,10-13,16,21H,9,14-15,17H2,1-4H3,(H,29,32)(H,30,33)/t21-/m0/s1