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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4S/c1-14-2-7-18(23(24)25)12-19(14)28(26,27)21-17-8-10-22(11-9-17)13-15-3-5-16(20)6-4-15/h2-7,12,17,21H,8-11,13H2,1H3