1-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazino]ethanone Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C20H29N3O5S/c1-16(24)21-11-13-22(14-12-21)20(25)18-15-17(7-8-19(18)28-2)29(26,27)23-9-5-3-4-6-10-23/h7-8,15H,3-6,9-14H2,1-2H3