N-[(3S)-1-[4-(methylcarbamoylamino)-4-(phenylsulfonylmethyl)cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[(3S)-1-[4-(methylcarbamoylamino)-4-(phenylsulfonylmethyl)cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[(3S)-1-[4-(benzenesulfonylmethyl)-4-(methylcarbamoylamino)cyclohexyl]-2-oxo-pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide CAS Name: N-[(3S)-1-[4-(benzenesulfonylmethyl)-4-(methylcarbamoylamino)cyclohexyl]-2-oxo-3-pyrrolidinyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[(3S)-1-[4-(benzenesulfonylmethyl)-4-(methylcarbamoylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[(3S)-1-[4-(besylmethyl)-4-(methylcarbamoylamino)cyclohexyl]-2-keto-pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide Formula: C27H31F3N4O5S MolecularWeight: 580.61905

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1(CCC(CC1)N2CCC(C2=O)NC(=O)C3=CC(=CC=C3)C(F)(F)F)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)NC1(CCC(CC1)N2CC[C@@H](C2=O)NC(=O)C3=CC(=CC=C3)C(F)(F)F)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31F3N4O5S/c1-31-25(37)33-26(17-40(38,39)21-8-3-2-4-9-21)13-10-20(11-14-26)34-15-12-22(24(34)36)32-23(35)18-6-5-7-19(16-18)27(28,29)30/h2-9,16,20,22H,10-15,17H2,1H3,(H,32,35)(H2,31,33,37)/t20?,22-,26?/m0/s1