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

Systemtic Name: 3-[[1-(4-azanyl-2-methyl-phenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[[1-(4-amino-2-methyl-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[1-[(4-amino-2-methylphenyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl ester IUPAC Name: 3-[[1-(4-amino-2-methylbenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[[1-(4-amino-2-methyl-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]propyl ester Formula: C28H31ClN2O5S MolecularWeight: 543.07414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)N)C

InChI

InChI=1S/C28H31ClN2O5S/c1-19-6-10-23(11-7-19)37(33,34)36-16-4-15-35-27-5-3-14-31(26-13-8-21(29)18-25(26)27)28(32)24-12-9-22(30)17-20(24)2/h6-13,17-18,27H,3-5,14-16,30H2,1-2H3