N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C21H23FN2O4S2 MolecularWeight: 450.546723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H]2CCSC3=C2C=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23FN2O4S2/c1-28-18-6-4-14(12-20(18)30(26,27)24-9-2-3-10-24)21(25)23-17-8-11-29-19-7-5-15(22)13-16(17)19/h4-7,12-13,17H,2-3,8-11H2,1H3,(H,23,25)/t17-/m0/s1