methyl (3S)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylate

Systemtic Name: methyl (3S)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylate Openeye Name: methyl (3S)-2-(p-tolylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylate CAS Name: (3S)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylate Traditional Name: (3S)-2-tosyl-1,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CCC2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC[C@H]2C(=O)OC

InChI

InChI=1S/C19H21NO4S/c1-14-7-10-17(11-8-14)25(22,23)20-13-16-6-4-3-5-15(16)9-12-18(20)19(21)24-2/h3-8,10-11,18H,9,12-13H2,1-2H3/t18-/m0/s1