[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-methyl-1-piperidyl)-3-nitro-phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]methanone Traditional Name: (4-besylpiperazino)-[4-(3-methylpiperidino)-3-nitro-phenyl]methanone Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c1-18-6-5-11-25(17-18)21-10-9-19(16-22(21)27(29)30)23(28)24-12-14-26(15-13-24)33(31,32)20-7-3-2-4-8-20/h2-4,7-10,16,18H,5-6,11-15,17H2,1H3