N-(isoquinolin-1-ylmethyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(isoquinolin-1-ylmethyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-isoquinolylmethyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(1-isoquinolinylmethyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(isoquinolin-1-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-isoquinolylmethyl)-1-mesyl-isonipecotamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H21N3O3S/c1-24(22,23)20-10-7-14(8-11-20)17(21)19-12-16-15-5-3-2-4-13(15)6-9-18-16/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,21)