(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O6S/c1-32-20-9-4-17(16-21(20)33(30,31)25-10-2-3-11-25)22(27)24-14-12-23(13-15-24)18-5-7-19(8-6-18)26(28)29/h4-9,16H,2-3,10-15H2,1H3