N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C31H37N5O4S MolecularWeight: 575.72158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C31H37N5O4S/c1-21-4-8-23(9-5-21)31(38)35-19-27(17-29(35)30(37)33-25-12-10-24(32)11-13-25)34(20-28-3-2-16-41-28)18-22-6-14-26(15-7-22)36(39)40/h2-9,14-16,24-25,27,29H,10-13,17-20,32H2,1H3,(H,33,37)