N3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzene-1,3-disulfonamide

Systemtic Name: N3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzene-1,3-disulfonamide Openeye Name: N3-[1-(p-tolylsulfonyl)-4-piperidyl]benzene-1,3-disulfonamide CAS Name: N3-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzene-1,3-disulfonamide Traditional Name: N'-(1-tosyl-4-piperidyl)benzene-1,3-disulfonamide Formula: C18H23N3O6S3 MolecularWeight: 473.58672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H23N3O6S3/c1-14-5-7-16(8-6-14)30(26,27)21-11-9-15(10-12-21)20-29(24,25)18-4-2-3-17(13-18)28(19,22)23/h2-8,13,15,20H,9-12H2,1H3,(H2,19,22,23)