[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-(4-sec-butylphenyl)sulfonylpiperazino]methanone Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-4-16(2)17-5-8-19(9-6-17)32(29,30)24-13-11-23(12-14-24)22(26)20-15-18(25(27)28)7-10-21(20)31-3/h5-10,15-16H,4,11-14H2,1-3H3