N-(3-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(3-methoxyphenyl)-N-[1-methyl-3-(4-methyl-1-piperidyl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-(3-methoxyphenyl)-N-[4-(4-methyl-1-piperidinyl)butan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-(3-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(3-methoxyphenyl)-N-[1-methyl-3-(4-methylpiperidino)propyl]-3-nitro-benzenesulfonamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCC(C)N(C2=CC(=CC=C2)OC)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CCC(C)N(C2=CC(=CC=C2)OC)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O5S/c1-18-10-13-24(14-11-18)15-12-19(2)25(20-6-4-8-22(16-20)31-3)32(29,30)23-9-5-7-21(17-23)26(27)28/h4-9,16-19H,10-15H2,1-3H3