N-cyclopropyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-4-methyl-benzenesulfonamide Openeye Name: N-cyclopropyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: N-cyclopropyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: N-cyclopropyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: N-cyclopropyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C22H26FN3O5S2 MolecularWeight: 495.587343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O5S2/c1-16-3-8-20(32(28,29)24-18-6-7-18)15-21(16)22(27)25-11-2-12-26(14-13-25)33(30,31)19-9-4-17(23)5-10-19/h3-5,8-10,15,18,24H,2,6-7,11-14H2,1H3