6-chloranyl-7,8-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1-benzazepine

Systemtic Name: 6-chloranyl-7,8-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1-benzazepine Openeye Name: 6-chloro-1-(4-isopropylsulfonylphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepine CAS Name: 6-chloro-7,8-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1-benzazepine IUPAC Name: 6-chloro-7,8-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-2,3,4,5-tetrahydro-1-benzazepine Traditional Name: 6-chloro-1-(4-isopropylsulfonylphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepine Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)N2CCCCC3=C(C(=C(C=C32)OC)OC)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)N2CCCCC3=C(C(=C(C=C32)OC)OC)Cl

InChI

InChI=1S/C21H26ClNO4S/c1-14(2)28(24,25)16-10-8-15(9-11-16)23-12-6-5-7-17-18(23)13-19(26-3)21(27-4)20(17)22/h8-11,13-14H,5-7,12H2,1-4H3