N-[(phenylmethyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(benzylcarbamoyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N4O4S2/c1-16(20(26)24-21(27)23-14-17-8-4-2-5-9-17)30-19-11-10-18(15-22-19)31(28,29)25-12-6-3-7-13-25/h2,4-5,8-11,15-16H,3,6-7,12-14H2,1H3,(H2,23,24,26,27)