2-[[1-(4-azanyl-2-methoxy-phenyl)carbonyl-7-fluoranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[1-(4-azanyl-2-methoxy-phenyl)carbonyl-7-fluoranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[1-(4-amino-2-methoxy-benzoyl)-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[1-[(4-amino-2-methoxyphenyl)-oxomethyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl ester IUPAC Name: 2-[[1-(4-amino-2-methoxybenzoyl)-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[1-(4-amino-2-methoxy-benzoyl)-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethyl ester Formula: C27H29FN2O6S MolecularWeight: 528.592363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CCCN(C3=C2C=C(C=C3)F)C(=O)C4=C(C=C(C=C4)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CCCN(C3=C2C=C(C=C3)F)C(=O)C4=C(C=C(C=C4)N)OC

InChI

InChI=1S/C27H29FN2O6S/c1-18-5-9-21(10-6-18)37(32,33)36-15-14-35-25-4-3-13-30(24-12-7-19(28)16-23(24)25)27(31)22-11-8-20(29)17-26(22)34-2/h5-12,16-17,25H,3-4,13-15,29H2,1-2H3