9-chloranyl-5-[4-(2-methylpropylsulfonyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 9-chloranyl-5-[4-(2-methylpropylsulfonyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 9-chloro-5-(4-isobutylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 9-chloro-5-[4-(2-methylpropylsulfonyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 9-chloro-5-[4-(2-methylpropylsulfonyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 9-chloro-5-(4-isobutylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl

Isomeric SMILES

CC(C)CS(=O)(=O)C1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl

InChI

InChI=1S/C20H24ClNO4S/c1-12(2)11-27(25,26)14-5-3-13(4-6-14)17-10-22-8-7-15-16(17)9-18(23)20(24)19(15)21/h3-6,9,12,17,22-24H,7-8,10-11H2,1-2H3