2-ethanoyl-3-piperidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride

Systemtic Name: 2-ethanoyl-3-piperidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride Openeye Name: 2-acetyl-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride CAS Name: 2-acetyl-3-[oxo(1-piperidinyl)methyl]-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride IUPAC Name: 2-acetyl-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride Traditional Name: 2-acetyl-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(CC1C(=O)N3CCCCC3)C=CC(=C2)S(=O)(=O)Cl

Isomeric SMILES

CC(=O)N1CC2=C(CC1C(=O)N3CCCCC3)C=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C17H21ClN2O4S/c1-12(21)20-11-14-9-15(25(18,23)24)6-5-13(14)10-16(20)17(22)19-7-3-2-4-8-19/h5-6,9,16H,2-4,7-8,10-11H2,1H3