N-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)carbonyl-1-methylsulfonyl-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)carbonyl-1-methylsulfonyl-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)pyrrolidine-2-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-(2-methylbenzoyl)-1-methylsulfonyl-3-(3-methyl-2-thienyl)-5-(3-nitrophenyl)pyrrolidine-2-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)-oxomethyl]-1-methylsulfonyl-3-(3-methyl-2-thiophenyl)-5-(3-nitrophenyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-(2-methylbenzoyl)-1-methylsulfonyl-3-(3-methylthiophen-2-yl)-5-(3-nitrophenyl)pyrrolidine-2-carboxamide Traditional Name: 1-mesyl-3-(3-methyl-2-thienyl)-5-(3-nitrophenyl)-4-o-toluoyl-N-p-anisyl-pyrrolidine-2-carboxamide Formula: C33H33N3O7S2 MolecularWeight: 647.76102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2C(=O)NCC3=CC=C(C=C3)OC)S(=O)(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2C(=O)NCC3=CC=C(C=C3)OC)S(=O)(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5C

InChI

InChI=1S/C33H33N3O7S2/c1-20-8-5-6-11-26(20)31(37)27-28(32-21(2)16-17-44-32)30(33(38)34-19-22-12-14-25(43-3)15-13-22)35(45(4,41)42)29(27)23-9-7-10-24(18-23)36(39)40/h5-18,27-30H,19H2,1-4H3,(H,34,38)