1-(3-fluoranyl-4-methyl-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(3-fluoro-4-methyl-phenyl)sulfonyl-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-(3-fluoro-4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-(3-fluoro-4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(3-fluoro-4-methyl-phenyl)sulfonyl-4-(2-thenyl)-1,4-diazepane Formula: C17H21FN2O2S2 MolecularWeight: 368.489243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3)F

InChI

InChI=1S/C17H21FN2O2S2/c1-14-5-6-16(12-17(14)18)24(21,22)20-8-3-7-19(9-10-20)13-15-4-2-11-23-15/h2,4-6,11-12H,3,7-10,13H2,1H3