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

Systemtic Name: N-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide CAS Name: N-[3-methyl-4-(1-tetrazolyl)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]isonipecotamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)N4C=NN=N4

InChI

InChI=1S/C21H24N6O3S/c1-16-13-19(7-8-20(16)27-15-22-24-25-27)23-21(28)18-9-11-26(12-10-18)31(29,30)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,23,28)