N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylamino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylamino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-2-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylamino]-1-(cyclohexylmethyl)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-2-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylamino]-1-(cyclohexylmethyl)-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C29H34N4O4S2 MolecularWeight: 566.73466

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C(CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN(CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C29H34N4O4S2/c1-33(39(36,37)27-15-8-6-13-23(27)20-30)17-9-16-31-28(34)24(18-21-10-3-2-4-11-21)32-29(35)26-19-22-12-5-7-14-25(22)38-26/h5-8,12-15,19,21,24H,2-4,9-11,16-18H2,1H3,(H,31,34)(H,32,35)/t24-/m0/s1