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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C20H21N6O3S- MolecularWeight: 425.48414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N=C(C3=CC=CC(=C3)C4=NNN=N4)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N=C(C3=CC=CC(=C3)C4=NNN=N4)[O-]

InChI

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