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

Systemtic Name: 4-methyl-N-[1-[(3-nitro-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-N-phenyl-benzenesulfonamide Openeye Name: N-[1-[(4-hydroxy-3-nitro-phenyl)methyl]-4-piperidyl]-4-methyl-N-phenyl-benzenesulfonamide CAS Name: N-[1-[(4-hydroxy-3-nitrophenyl)methyl]-4-piperidinyl]-4-methyl-N-phenylbenzenesulfonamide IUPAC Name: N-[1-[(4-hydroxy-3-nitrophenyl)methyl]piperidin-4-yl]-4-methyl-N-phenylbenzenesulfonamide Traditional Name: N-[1-(4-hydroxy-3-nitro-benzyl)-4-piperidyl]-4-methyl-N-phenyl-benzenesulfonamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCN(CC2)CC3=CC(=C(C=C3)O)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCN(CC2)CC3=CC(=C(C=C3)O)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S/c1-19-7-10-23(11-8-19)34(32,33)27(21-5-3-2-4-6-21)22-13-15-26(16-14-22)18-20-9-12-25(29)24(17-20)28(30)31/h2-12,17,22,29H,13-16,18H2,1H3