N-ethyl-3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide

Systemtic Name: N-ethyl-3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: N-ethyl-3-(2-methylbenzoyl)-4-(3-methyl-2-thienyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide CAS Name: N-ethyl-3-[(2-methylphenyl)-oxomethyl]-4-(3-methyl-2-thiophenyl)-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: N-ethyl-3-(2-methylbenzoyl)-4-(3-methylthiophen-2-yl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Traditional Name: N-ethyl-4-(3-methyl-2-thienyl)-2-(3-nitrophenyl)-3-o-toluoyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Formula: C31H35N5O5S MolecularWeight: 589.7051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=C(C=CS3)C)C(=O)C4=CC=CC=C4C)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=C(C=CS3)C)C(=O)C4=CC=CC=C4C)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H35N5O5S/c1-4-33-31(39)35-26(21-9-7-10-22(18-21)36(40)41)24(28(37)23-11-6-5-8-19(23)2)25(29-20(3)12-17-42-29)27(35)30(38)34-15-13-32-14-16-34/h5-12,17-18,24-27,32H,4,13-16H2,1-3H3,(H,33,39)