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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-fluorophenyl)piperazino]methanone Formula: C24H30FN3O4S MolecularWeight: 475.576103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H30FN3O4S/c1-32-22-11-10-19(18-23(22)33(30,31)28-12-6-2-3-7-13-28)24(29)27-16-14-26(15-17-27)21-9-5-4-8-20(21)25/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3