7-(4-methylphenyl)sulfonyl-5,6,8,9-tetrahydropyrido[3,4-d]azepine

Systemtic Name: 7-(4-methylphenyl)sulfonyl-5,6,8,9-tetrahydropyrido[3,4-d]azepine Openeye Name: 7-(p-tolylsulfonyl)-5,6,8,9-tetrahydropyrido[3,4-d]azepine CAS Name: 7-(4-methylphenyl)sulfonyl-5,6,8,9-tetrahydropyrido[3,4-d]azepine IUPAC Name: 7-(4-methylphenyl)sulfonyl-5,6,8,9-tetrahydropyrido[3,4-d]azepine Traditional Name: 7-tosyl-5,6,8,9-tetrahydropyrid[3,4-d]azepine Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(CC2)C=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(CC2)C=NC=C3

InChI

InChI=1S/C16H18N2O2S/c1-13-2-4-16(5-3-13)21(19,20)18-10-7-14-6-9-17-12-15(14)8-11-18/h2-6,9,12H,7-8,10-11H2,1H3