8-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-methyl-quinoline

Systemtic Name: 8-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-methyl-quinoline Openeye Name: 8-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-methyl-quinoline CAS Name: 8-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-methylquinoline Traditional Name: 8-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-methyl-quinoline Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O4S2/c1-16-14-17-4-2-5-20(21(17)23-15-16)31(28,29)25-11-3-10-24(12-13-25)30(26,27)19-8-6-18(22)7-9-19/h2,4-9,14-15H,3,10-13H2,1H3