N-methyl-3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-benzylpiperidino)-N-methyl-3-nitro-benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-20-27(25,26)17-7-8-18(19(14-17)22(23)24)21-11-9-16(10-12-21)13-15-5-3-2-4-6-15/h2-8,14,16,20H,9-13H2,1H3