4-(4-fluorophenyl)sulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[2-[(4-methylphenyl)thio]ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(p-tolylthio)ethyl]-1,4-diazepane-1-carboxamide Formula: C21H26FN3O3S2 MolecularWeight: 451.577843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S2/c1-17-3-7-19(8-4-17)29-16-11-23-21(26)24-12-2-13-25(15-14-24)30(27,28)20-9-5-18(22)6-10-20/h3-10H,2,11-16H2,1H3,(H,23,26)