1-(2,4-dimethylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(4-sulfamoylbenzyl)isonipecotamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H27N3O5S2/c1-15-3-8-20(16(2)13-15)31(28,29)24-11-9-18(10-12-24)21(25)23-14-17-4-6-19(7-5-17)30(22,26)27/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)(H2,22,26,27)