1-[3-(3-chlorophenyl)carbonyl-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[3-(3-chlorophenyl)carbonyl-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[3-(3-chlorobenzoyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[3-[(3-chlorophenyl)-oxomethyl]-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-4-thiophen-2-yl-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[3-(3-chlorobenzoyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[3-(3-chlorobenzoyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidino]-2-methoxy-ethanone Formula: C29H29ClN4O6S MolecularWeight: 597.08176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN4O6S/c1-40-17-23(35)33-26(18-5-3-8-21(16-18)34(38)39)25(28(36)19-6-2-7-20(30)15-19)24(22-9-4-14-41-22)27(33)29(37)32-12-10-31-11-13-32/h2-9,14-16,24-27,31H,10-13,17H2,1H3