2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O4S/c1-33-23-11-9-22(10-12-23)27-15-17-28(18-16-27)25(30)20-26-21-7-6-8-24(19-21)34(31,32)29-13-4-2-3-5-14-29/h6-12,19,26H,2-5,13-18,20H2,1H3