4-butyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzenesulfonamide Openeye Name: 4-butyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzenesulfonamide CAS Name: 4-butyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzenesulfonamide Traditional Name: 4-butyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzenesulfonamide Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H28N2O4S2/c1-2-3-6-20-9-13-24(14-10-20)32(28,29)26-23-11-15-25(16-12-23)33(30,31)27-18-17-21-7-4-5-8-22(21)19-27/h4-5,7-16,26H,2-3,6,17-19H2,1H3