(3S)-1-(4-methylphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(p-tolylsulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-sulfamoylphenyl)ethyl]-1-tosyl-nipecotamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O5S2/c1-16-4-8-20(9-5-16)31(28,29)24-14-2-3-18(15-24)21(25)23-13-12-17-6-10-19(11-7-17)30(22,26)27/h4-11,18H,2-3,12-15H2,1H3,(H,23,25)(H2,22,26,27)/t18-/m0/s1