4-[(4-chlorophenyl)methylamino]-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-chlorophenyl)methylamino]-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-chlorophenyl)methylamino]-N-methyl-N-(1-methyl-4-piperidyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(4-chlorophenyl)methylamino]-N-methyl-N-(1-methyl-4-piperidinyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-chlorophenyl)methylamino]-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-chlorobenzyl)amino]-N-methyl-N-(1-methyl-4-piperidyl)-3-nitro-benzenesulfonamide Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN4O4S/c1-23-11-9-17(10-12-23)24(2)30(28,29)18-7-8-19(20(13-18)25(26)27)22-14-15-3-5-16(21)6-4-15/h3-8,13,17,22H,9-12,14H2,1-2H3