N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]sulfamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]sulfamoyl]phenyl]butanamide Openeye Name: N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]sulfamoyl]phenyl]butanamide CAS Name: N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]sulfamoyl]phenyl]butanamide IUPAC Name: N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]butanamide Traditional Name: N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]sulfamoyl]phenyl]butyramide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H29N3O3S2/c1-2-5-25(29)27-22-8-10-23(11-9-22)33(30,31)26-16-24(21-13-15-32-18-21)28-14-12-19-6-3-4-7-20(19)17-28/h3-4,6-11,13,15,18,24,26H,2,5,12,14,16-17H2,1H3,(H,27,29)