2-ethanoyl-3-piperidin-1-ylcarbonyl-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: 2-ethanoyl-3-piperidin-1-ylcarbonyl-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: 2-acetyl-3-(piperidine-1-carbonyl)-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-acetyl-3-[oxo(1-piperidinyl)methyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: 2-acetyl-3-(piperidine-1-carbonyl)-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: 2-acetyl-3-(piperidine-1-carbonyl)-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC2=C(CC(N(C2)C(=O)C)C(=O)N3CCCCC3)C=C1

Isomeric SMILES

CCCNS(=O)(=O)C1=CC2=C(CC(N(C2)C(=O)C)C(=O)N3CCCCC3)C=C1

InChI

InChI=1S/C20H29N3O4S/c1-3-9-21-28(26,27)18-8-7-16-13-19(20(25)22-10-5-4-6-11-22)23(15(2)24)14-17(16)12-18/h7-8,12,19,21H,3-6,9-11,13-14H2,1-2H3