(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-N-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3,4-dimethoxyphenyl)sulfonyl-N-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3,4-dimethoxyphenyl)sulfonyl-N-isopentyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(3,4-dimethoxyphenyl)sulfonyl-N-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3,4-dimethoxyphenyl)sulfonyl-N-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3,4-dimethoxyphenyl)sulfonyl-N-isoamyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CCNC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O5S/c1-16(2)11-12-24-23(26)20-13-17-7-5-6-8-18(17)15-25(20)31(27,28)19-9-10-21(29-3)22(14-19)30-4/h5-10,14,16,20H,11-13,15H2,1-4H3,(H,24,26)/t20-/m0/s1