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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-2-methoxy-4-nitro-benzenesulfonamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-2-methoxy-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-4-nitrobenzenesulfonamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-2-methoxy-4-nitro-benzenesulfonamide Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O5S/c1-28-18-12-17(23(24)25)6-7-19(18)29(26,27)21-16-8-10-22(11-9-16)13-14-2-4-15(20)5-3-14/h2-7,12,16,21H,8-11,13H2,1H3