N-(3-methylphenyl)-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-methylphenyl)-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: N-(m-tolyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: N-(3-methylphenyl)-1-[4-(1-tetrazolyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: N-(m-tolyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-nipecotamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C20H22N6O3S/c1-15-4-2-6-17(12-15)22-20(27)16-5-3-11-25(13-16)30(28,29)19-9-7-18(8-10-19)26-14-21-23-24-26/h2,4,6-10,12,14,16H,3,5,11,13H2,1H3,(H,22,27)