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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide CAS Name: N-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]benzamide IUPAC Name: N-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide Traditional Name: N-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3S)-1,1-diketothiolan-3-yl]benzamide Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S2/c1-2-3-14-26(22-13-16-32(28,29)18-22)24(27)20-8-10-23(11-9-20)33(30,31)25-15-12-19-6-4-5-7-21(19)17-25/h4-11,22H,2-3,12-18H2,1H3/t22-/m0/s1