N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butane-1-sulfonamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butane-1-sulfonamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butane-1-sulfonamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-butanesulfonamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butane-1-sulfonamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)butane-1-sulfonamide Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C19H24N2O4S2/c1-2-3-13-26(22,23)20-18-10-9-16-11-12-21(15-17(16)14-18)27(24,25)19-7-5-4-6-8-19/h4-10,14,20H,2-3,11-13,15H2,1H3