1-(4-methylphenyl)sulfonyl-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepane Openeye Name: 1-(1-phenyltetrazol-5-yl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(1-phenyl-5-tetrazolyl)-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepane Traditional Name: 1-(1-phenyltetrazol-5-yl)-4-tosyl-1,4-diazepane Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H22N6O2S/c1-16-8-10-18(11-9-16)28(26,27)24-13-5-12-23(14-15-24)19-20-21-22-25(19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3