N,N-diethyl-1-isoquinolin-5-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-isoquinolin-5-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-(5-isoquinolylsulfonyl)piperidine-3-carboxamide CAS Name: N,N-diethyl-1-(5-isoquinolinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-isoquinolin-5-ylsulfonylpiperidine-3-carboxamide Traditional Name: N,N-diethyl-1-(5-isoquinolylsulfonyl)nipecotamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H25N3O3S/c1-3-21(4-2)19(23)16-8-6-12-22(14-16)26(24,25)18-9-5-7-15-13-20-11-10-17(15)18/h5,7,9-11,13,16H,3-4,6,8,12,14H2,1-2H3