N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(tetrazol-1-yl)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(1-tetrazolyl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(tetrazol-1-yl)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(tetrazol-1-yl)benzamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C20H22N6O3S/c27-20(16-6-5-7-18(14-16)26-15-21-23-24-26)22-17-8-10-19(11-9-17)30(28,29)25-12-3-1-2-4-13-25/h5-11,14-15H,1-4,12-13H2,(H,22,27)