N-[[4-(diethylaminomethyl)phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H32N4O3S/c1-3-26(4-2)18-20-9-7-19(8-10-20)16-25-23(28)21-11-14-27(15-12-21)31(29,30)22-6-5-13-24-17-22/h5-10,13,17,21H,3-4,11-12,14-16,18H2,1-2H3,(H,25,28)