7-methyl-4-[[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 4-[[4-(2-mesyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazino]methyl]-7-methyl-coumarin Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C

InChI

InChI=1S/C26H29N3O5S/c1-18-7-8-22-21(15-25(30)34-24(22)13-18)16-27-9-11-28(12-10-27)26(31)23-14-19-5-3-4-6-20(19)17-29(23)35(2,32)33/h3-8,13,15,23H,9-12,14,16-17H2,1-2H3