5-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]azepine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]azepine Openeye Name: 5-(p-tolylsulfonyl)-6,7,8,9-tetrahydropyrido[3,2-b]azepine CAS Name: 5-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]azepine IUPAC Name: 5-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]azepine Traditional Name: 5-tosyl-6,7,8,9-tetrahydropyrid[3,2-b]azepine Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC3=C2C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC3=C2C=CC=N3

InChI

InChI=1S/C16H18N2O2S/c1-13-7-9-14(10-8-13)21(19,20)18-12-3-2-5-15-16(18)6-4-11-17-15/h4,6-11H,2-3,5,12H2,1H3