[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-[4-(4-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(4-fluorophenyl)piperazino]methanone Formula: C24H30FN3O3S MolecularWeight: 459.576703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H30FN3O3S/c1-19-6-11-22(32(30,31)28-12-4-2-3-5-13-28)18-23(19)24(29)27-16-14-26(15-17-27)21-9-7-20(25)8-10-21/h6-11,18H,2-5,12-17H2,1H3