[3-(5-chloranylthiophen-2-yl)carbonyl-4-(3-methoxyphenyl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]-cyclopropyl-methanone

Systemtic Name: [3-(5-chloranylthiophen-2-yl)carbonyl-4-(3-methoxyphenyl)-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]-cyclopropyl-methanone Openeye Name: [3-(5-chlorothiophene-2-carbonyl)-4-(3-methoxyphenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-cyclopropyl-methanone CAS Name: [3-[(5-chloro-2-thiophenyl)-oxomethyl]-4-(3-methoxyphenyl)-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]-cyclopropylmethanone IUPAC Name: [3-(5-chlorothiophene-2-carbonyl)-4-(3-methoxyphenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone Traditional Name: [3-(5-chlorothiophene-2-carbonyl)-4-(3-methoxyphenyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidino]-cyclopropyl-methanone Formula: C31H31ClN4O6S MolecularWeight: 623.11904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CC4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC=C(S6)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CC4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C6=CC=C(S6)Cl

InChI

InChI=1S/C31H31ClN4O6S/c1-42-22-7-3-4-19(17-22)25-26(29(37)23-10-11-24(32)43-23)27(20-5-2-6-21(16-20)36(40)41)35(30(38)18-8-9-18)28(25)31(39)34-14-12-33-13-15-34/h2-7,10-11,16-18,25-28,33H,8-9,12-15H2,1H3