2-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(E)-3-[4-(diethylsulfamoyl)phenyl]-1-oxoprop-2-enyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[(E)-3-[4-(diethylsulfamoyl)phenyl]acryloyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CC3=CC=CC=C3CC2C(=O)NC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CC3=CC=CC=C3CC2C(=O)NC

InChI

InChI=1S/C24H29N3O4S/c1-4-26(5-2)32(30,31)21-13-10-18(11-14-21)12-15-23(28)27-17-20-9-7-6-8-19(20)16-22(27)24(29)25-3/h6-15,22H,4-5,16-17H2,1-3H3,(H,25,29)/b15-12+