9-chloranyl-5-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 9-chloranyl-5-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 9-chloro-5-(4-isopropylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 9-chloro-5-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 9-chloro-5-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 9-chloro-5-(4-isopropylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO4S/c1-11(2)26(24,25)13-5-3-12(4-6-13)16-10-21-8-7-14-15(16)9-17(22)19(23)18(14)20/h3-6,9,11,16,21-23H,7-8,10H2,1-2H3