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

Systemtic Name: 2-methyl-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzenesulfonamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

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