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

Systemtic Name: N-methyl-4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[[4-[(4-methylpiperidino)methyl]benzyl]amino]-3-nitro-benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S/c1-16-9-11-24(12-10-16)15-18-5-3-17(4-6-18)14-23-20-8-7-19(30(28,29)22-2)13-21(20)25(26)27/h3-8,13,16,22-23H,9-12,14-15H2,1-2H3