(3S)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(1-tetrazolyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C17H18N6O3S2 MolecularWeight: 418.49322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)N4C=NN=N4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)N4C=NN=N4

InChI

InChI=1S/C17H18N6O3S2/c24-17(19-14-5-1-6-15(10-14)23-12-18-20-21-23)13-4-2-8-22(11-13)28(25,26)16-7-3-9-27-16/h1,3,5-7,9-10,12-13H,2,4,8,11H2,(H,19,24)/t13-/m0/s1