azepan-1-yl-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: azepan-1-yl-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azepan-1-yl-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azepan-1-yl-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H30N2O5S/c1-30-22-12-11-20(16-23(22)31-2)32(28,29)26-17-19-10-6-5-9-18(19)15-21(26)24(27)25-13-7-3-4-8-14-25/h5-6,9-12,16,21H,3-4,7-8,13-15,17H2,1-2H3