N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-benzamide

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-methylbenzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3R)-1,1-diketothiolan-3-yl]-N-methyl-benzamide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O5S2/c1-22(19-10-12-29(25,26)15-19)21(24)17-7-4-8-20(13-17)30(27,28)23-11-9-16-5-2-3-6-18(16)14-23/h2-8,13,19H,9-12,14-15H2,1H3/t19-/m1/s1