2-methyl-5-nitro-N-[[1-(phenylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[[1-(phenylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzyl-4-piperidyl)methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[[1-(phenylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1-benzyl-4-piperidyl)methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-16-7-8-19(23(24)25)13-20(16)28(26,27)21-14-17-9-11-22(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17,21H,9-12,14-15H2,1H3