N-[3-(3-methylphenoxy)propyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(3-methylphenoxy)propyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(3-methylphenoxy)propyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(3-methylphenoxy)propyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(3-methylphenoxy)propyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-17-5-2-6-19(15-17)28-14-4-11-23-21(25)18-8-12-24(13-9-18)29(26,27)20-7-3-10-22-16-20/h2-3,5-7,10,15-16,18H,4,8-9,11-14H2,1H3,(H,23,25)