N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-(methylthio)propyl]-2-furamide Formula: C21H26FN3O5S2 MolecularWeight: 483.576643

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H26FN3O5S2/c1-31-15-9-18(23-20(26)19-4-2-14-30-19)21(27)24-10-3-11-25(13-12-24)32(28,29)17-7-5-16(22)6-8-17/h2,4-8,14,18H,3,9-13,15H2,1H3,(H,23,26)/t18-/m0/s1