potassium [(E)-[8-chloranyl-1-(2-methylphenyl)carbonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino] sulfate

Systemtic Name: potassium [(E)-[8-chloranyl-1-(2-methylphenyl)carbonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino] sulfate Openeye Name: potassium [(E)-[8-chloro-1-(2-methylbenzoyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino] sulfate CAS Name: potassium [(E)-[8-chloro-1-[(2-methylphenyl)-oxomethyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino] sulfate IUPAC Name: potassium [(E)-[8-chloro-1-(2-methylbenzoyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino] sulfate Traditional Name: potassium [(E)-(8-chloro-1-o-toluoyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)amino] sulfate Formula: C18H16ClKN2O5S MolecularWeight: 446.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCC(=NOS(=O)(=O)[O-])C3=C2C=C(C=C3)Cl.[K+]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC/C(=N\OS(=O)(=O)[O-])/C3=C2C=C(C=C3)Cl.[K+]

InChI

InChI=1S/C18H17ClN2O5S.K/c1-12-5-2-3-6-14(12)18(22)21-10-4-7-16(20-26-27(23,24)25)15-9-8-13(19)11-17(15)21;/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,24,25);/q;+1/p-1/b20-16+;