N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]-3-thiophen-2-ylsulfonyl-propanamide

Systemtic Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]-3-thiophen-2-ylsulfonyl-propanamide Openeye Name: N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-3-(2-thienylsulfonyl)propanamide CAS Name: N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-3-thiophen-2-ylsulfonylpropanamide IUPAC Name: N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylsulfonylpropanamide Traditional Name: N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]-3-(2-thienylsulfonyl)propionamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N5O4S2/c28-19(8-16-33(30,31)20-3-1-15-32-20)25-18-6-4-17(5-7-18)21(29)26-11-13-27(14-12-26)22-23-9-2-10-24-22/h1-7,9-10,15H,8,11-14,16H2,(H,25,28)