2,3-dimethyl-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzenesulfonamide hydrochloride

Systemtic Name: 2,3-dimethyl-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzenesulfonamide hydrochloride Openeye Name: N-(1-benzyl-4-piperidyl)-2,3-dimethyl-5-nitro-benzenesulfonamide hydrochloride CAS Name: 2,3-dimethyl-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzenesulfonamide hydrochloride IUPAC Name: N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide hydrochloride Traditional Name: N-(1-benzyl-4-piperidyl)-2,3-dimethyl-5-nitro-benzenesulfonamide hydrochloride Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H25N3O4S.ClH/c1-15-12-19(23(24)25)13-20(16(15)2)28(26,27)21-18-8-10-22(11-9-18)14-17-6-4-3-5-7-17;/h3-7,12-13,18,21H,8-11,14H2,1-2H3;1H