N-[(phenylmethyl)carbamoyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(3-pyridylsulfonyl)piperazino]propionamide Formula: C20H25N5O4S MolecularWeight: 431.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N5O4S/c1-16(19(26)23-20(27)22-14-17-6-3-2-4-7-17)24-10-12-25(13-11-24)30(28,29)18-8-5-9-21-15-18/h2-9,15-16H,10-14H2,1H3,(H2,22,23,26,27)