N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2H-tetrazol-5-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)C4=NNN=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=NNN=N4

InChI

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