N-(2,4-dimethylphenyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(1-methylsulfonyl-4-piperidyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[(1-methylsulfonyl-4-piperidinyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(1-mesyl-4-piperidyl)amino]-3-nitro-benzenesulfonamide Formula: C20H26N4O6S2 MolecularWeight: 482.57364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O6S2/c1-14-4-6-18(15(2)12-14)22-32(29,30)17-5-7-19(20(13-17)24(25)26)21-16-8-10-23(11-9-16)31(3,27)28/h4-7,12-13,16,21-22H,8-11H2,1-3H3