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

Systemtic Name: (3S)-N-prop-2-enyl-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-allyl-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-prop-2-enyl-1-[4-(1-tetrazolyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-allyl-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-nipecotamide Formula: C16H20N6O3S MolecularWeight: 376.4334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C=CCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C16H20N6O3S/c1-2-9-17-16(23)13-4-3-10-21(11-13)26(24,25)15-7-5-14(6-8-15)22-12-18-19-20-22/h2,5-8,12-13H,1,3-4,9-11H2,(H,17,23)/t13-/m0/s1