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

Systemtic Name: 2-[1-(4-azanyl-2-methoxy-phenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-(4-amino-2-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-2-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-[(4-amino-2-methoxyphenyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-2-yl]ethyl ester IUPAC Name: 2-[1-(4-amino-2-methoxybenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-(4-amino-2-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-2-yl]ethyl ester Formula: C27H29ClN2O5S MolecularWeight: 529.04756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCC3=C(N2C(=O)C4=C(C=C(C=C4)N)OC)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCC3=C(N2C(=O)C4=C(C=C(C=C4)N)OC)C=CC(=C3)Cl

InChI

InChI=1S/C27H29ClN2O5S/c1-18-6-10-23(11-7-18)36(32,33)35-15-14-22-5-3-4-19-16-20(28)8-13-25(19)30(22)27(31)24-12-9-21(29)17-26(24)34-2/h6-13,16-17,22H,3-5,14-15,29H2,1-2H3