1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4S)-6-chlorothiochroman-4-yl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4S)-6-chlorothiochroman-4-yl]isonipecotamide Formula: C21H25ClN4O4S2 MolecularWeight: 497.0306

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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=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H]3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN4O4S2/c1-25-12-15(11-18(25)20(23)27)32(29,30)26-7-4-13(5-8-26)21(28)24-17-6-9-31-19-3-2-14(22)10-16(17)19/h2-3,10-13,17H,4-9H2,1H3,(H2,23,27)(H,24,28)/t17-/m0/s1