2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C24H31FN4O3S MolecularWeight: 474.591343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H31FN4O3S/c25-20-5-9-22(10-6-20)27-15-17-28(18-16-27)24(30)19-26-21-7-11-23(12-8-21)33(31,32)29-13-3-1-2-4-14-29/h5-12,26H,1-4,13-19H2