N3-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide

Systemtic Name: N3-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide Openeye Name: N3-[2-methyl-5-(1-piperidylsulfonyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzene-1,3-disulfonamide Traditional Name: N'-(2-methyl-5-piperidinosulfonyl-phenyl)benzene-1,3-disulfonamide Formula: C18H23N3O6S3 MolecularWeight: 473.58672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H23N3O6S3/c1-14-8-9-17(30(26,27)21-10-3-2-4-11-21)13-18(14)20-29(24,25)16-7-5-6-15(12-16)28(19,22)23/h5-9,12-13,20H,2-4,10-11H2,1H3,(H2,19,22,23)