(3S)-N-[(3,5-dimethylphenyl)methyl]-N-methyl-2-(3-methylsulfinylazulen-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[(3,5-dimethylphenyl)methyl]-N-methyl-2-(3-methylsulfinylazulen-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[(3,5-dimethylphenyl)methyl]-N-methyl-2-(3-methylsulfinylazulene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[(3,5-dimethylphenyl)methyl]-N-methyl-2-[(3-methylsulfinyl-1-azulenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[(3,5-dimethylphenyl)methyl]-N-methyl-2-(3-methylsulfinylazulene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3,5-dimethylbenzyl)-N-methyl-2-(3-methylsulfinylazulene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C32H32N2O3S MolecularWeight: 524.67308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN(C)C(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=C5C4=CC=CC=C5)S(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN(C)C(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=C5C4=CC=CC=C5)S(=O)C)C

InChI

InChI=1S/C32H32N2O3S/c1-21-14-22(2)16-23(15-21)19-33(3)32(36)29-17-24-10-8-9-11-25(24)20-34(29)31(35)28-18-30(38(4)37)27-13-7-5-6-12-26(27)28/h5-16,18,29H,17,19-20H2,1-4H3/t29-,38?/m0/s1