N-(2,4-dimethylphenyl)-4-[4-(methylsulfonylamino)piperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[4-(methylsulfonylamino)piperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[4-(methanesulfonamido)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[4-(methanesulfonamido)-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[4-(methanesulfonamido)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[4-(methanesulfonamido)piperidino]-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)N3CCC(CC3)NS(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)NS(=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)23-10-8-16(9-11-23)21-31(3,27)28/h4-7,12-13,16,21-22H,8-11H2,1-3H3