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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(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=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

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