azepan-1-yl-[1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-(1-tetrazolyl)phenyl]sulfonyl-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidyl]methanone Formula: C19H26N6O3S MolecularWeight: 418.51314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C19H26N6O3S/c26-19(23-11-3-1-2-4-12-23)16-9-13-24(14-10-16)29(27,28)18-7-5-17(6-8-18)25-15-20-21-22-25/h5-8,15-16H,1-4,9-14H2