1-(4-methylphenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-tosyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isonipecotamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H25N5O3S/c1-17-2-8-21(9-3-17)31(29,30)27-12-10-19(11-13-27)22(28)25-20-6-4-18(5-7-20)14-26-16-23-15-24-26/h2-9,15-16,19H,10-14H2,1H3,(H,25,28)