1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(8-fluorothiochroman-4-yl)piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(8-fluorothiochroman-4-yl)isonipecotamide Formula: C21H25FN4O4S2 MolecularWeight: 480.576003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=CC=C4F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=CC=C4F

InChI

InChI=1S/C21H25FN4O4S2/c1-25-12-14(11-18(25)20(23)27)32(29,30)26-8-5-13(6-9-26)21(28)24-17-7-10-31-19-15(17)3-2-4-16(19)22/h2-4,11-13,17H,5-10H2,1H3,(H2,23,27)(H,24,28)