N-(3-chloranyl-4-cyano-phenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(3-pyridylsulfonyl)piperazino]propionamide Formula: C19H20ClN5O3S MolecularWeight: 433.9118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H20ClN5O3S/c1-14(19(26)23-16-5-4-15(12-21)18(20)11-16)24-7-9-25(10-8-24)29(27,28)17-3-2-6-22-13-17/h2-6,11,13-14H,7-10H2,1H3,(H,23,26)