N-(2-ethyl-6-methyl-phenyl)-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[4-(1-tetrazolyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-nipecotamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4)C

InChI

InChI=1S/C22H26N6O3S/c1-3-17-7-4-6-16(2)21(17)24-22(29)18-8-5-13-27(14-18)32(30,31)20-11-9-19(10-12-20)28-15-23-25-26-28/h4,6-7,9-12,15,18H,3,5,8,13-14H2,1-2H3,(H,24,29)