N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(6-pyrrolidin-1-ylsulfonyl-2-quinolyl)piperidine-3-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-[6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(6-pyrrolidinosulfonyl-2-quinolyl)nipecotamide Formula: C23H28N6O3S3 MolecularWeight: 532.70182

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H28N6O3S3/c1-2-33-23-27-26-22(34-23)25-21(30)17-6-5-11-28(15-17)20-10-7-16-14-18(8-9-19(16)24-20)35(31,32)29-12-3-4-13-29/h7-10,14,17H,2-6,11-13,15H2,1H3,(H,25,26,30)