N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(methylsulfonylamino)benzamide

Systemtic Name: N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(methylsulfonylamino)benzamide Openeye Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(methanesulfonamido)benzamide CAS Name: N-[1-[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-(methanesulfonamido)benzamide IUPAC Name: N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-(methanesulfonamido)benzamide Traditional Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(methanesulfonamido)benzamide Formula: C29H37N5O4S MolecularWeight: 551.70018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC(CC2CCCCC2)C(=O)NC3(CCN(C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC(CC2CCCCC2)C(=O)NC3(CCN(C3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C29H37N5O4S/c1-39(37,38)33-25-14-12-24(13-15-25)27(35)31-26(18-22-8-4-2-5-9-22)28(36)32-29(20-30)16-17-34(21-29)19-23-10-6-3-7-11-23/h3,6-7,10-15,22,26,33H,2,4-5,8-9,16-19,21H2,1H3,(H,31,35)(H,32,36)