N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-3-(4-nitrophenyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-3-(4-nitrophenyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-2-carboxamide Openeye Name: 4-benzoyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-3-(4-nitrophenyl)-5-(2-thienyl)pyrrolidine-2-carboxamide CAS Name: 4-benzoyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-3-(4-nitrophenyl)-5-thiophen-2-yl-2-pyrrolidinecarboxamide IUPAC Name: 4-benzoyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-3-(4-nitrophenyl)-5-thiophen-2-ylpyrrolidine-2-carboxamide Traditional Name: 4-benzoyl-1-mesyl-3-(4-nitrophenyl)-N-p-anisyl-5-(2-thienyl)pyrrolidine-2-carboxamide Formula: C31H29N3O7S2 MolecularWeight: 619.70786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2C(C(C(N2S(=O)(=O)C)C3=CC=CS3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2C(C(C(N2S(=O)(=O)C)C3=CC=CS3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H29N3O7S2/c1-41-24-16-10-20(11-17-24)19-32-31(36)29-26(21-12-14-23(15-13-21)34(37)38)27(30(35)22-7-4-3-5-8-22)28(25-9-6-18-42-25)33(29)43(2,39)40/h3-18,26-29H,19H2,1-2H3,(H,32,36)