methyl 2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: methyl 2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-(1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)CC(=O)OC

InChI

InChI=1S/C20H23NO4S/c1-15-9-11-17(12-10-15)26(23,24)21-13-5-6-16(14-20(22)25-2)18-7-3-4-8-19(18)21/h3-4,7-12,16H,5-6,13-14H2,1-2H3