4-piperidin-1-ylsulfonyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-piperidin-1-ylsulfonyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-(1-piperidylsulfonyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-piperidin-1-ylsulfonyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4-piperidinosulfonyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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