(9-oxidanylidene-5,6,7,8-tetrahydropyrido[2,3-c]azepin-7-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (9-oxidanylidene-5,6,7,8-tetrahydropyrido[2,3-c]azepin-7-yl)methyl 4-methylbenzenesulfonate Openeye Name: (9-oxo-5,6,7,8-tetrahydropyrido[2,3-c]azepin-7-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-oxo-5,6,7,8-tetrahydropyrido[2,3-c]azepin-7-yl)methyl ester IUPAC Name: (9-oxo-5,6,7,8-tetrahydropyrido[2,3-c]azepin-7-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-keto-5,6,7,8-tetrahydropyrid[2,3-c]azepin-7-yl)methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(C(=O)N2)N=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(C(=O)N2)N=CC=C3

InChI

InChI=1S/C17H18N2O4S/c1-12-4-8-15(9-5-12)24(21,22)23-11-14-7-6-13-3-2-10-18-16(13)17(20)19-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,19,20)