4-chloranyl-N-[[5-(5-cyanopyridin-2-yl)thiophen-2-yl]-piperazin-1-ylsulfonyl-methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-(5-cyanopyridin-2-yl)thiophen-2-yl]-piperazin-1-ylsulfonyl-methyl]benzamide Openeye Name: 4-chloro-N-[[5-(5-cyano-2-pyridyl)-2-thienyl]-piperazin-1-ylsulfonyl-methyl]benzamide CAS Name: 4-chloro-N-[[5-(5-cyano-2-pyridinyl)-2-thiophenyl]-(1-piperazinylsulfonyl)methyl]benzamide IUPAC Name: 4-chloro-N-[[5-(5-cyanopyridin-2-yl)thiophen-2-yl]-piperazin-1-ylsulfonylmethyl]benzamide Traditional Name: 4-chloro-N-[[5-(5-cyano-2-pyridyl)-2-thienyl]-piperazinosulfonyl-methyl]benzamide Formula: C22H20ClN5O3S2 MolecularWeight: 502.0089

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C(C2=CC=C(S2)C3=NC=C(C=C3)C#N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C(C2=CC=C(S2)C3=NC=C(C=C3)C#N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5O3S2/c23-17-4-2-16(3-5-17)21(29)27-22(33(30,31)28-11-9-25-10-12-28)20-8-7-19(32-20)18-6-1-15(13-24)14-26-18/h1-8,14,22,25H,9-12H2,(H,27,29)