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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[4-(2-fluorophenyl)piperazino]methanone Formula: C24H30FN3O3S MolecularWeight: 459.576703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H30FN3O3S/c1-19-10-11-20(18-23(19)32(30,31)28-12-6-2-3-7-13-28)24(29)27-16-14-26(15-17-27)22-9-5-4-8-21(22)25/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3