4-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylpiperazin-2-one Openeye Name: 4-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]piperazin-2-one CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]piperazin-2-one Traditional Name: 4-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]piperazin-2-one Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N3O5S/c1-26-15-7-6-14(18(23)20-11-8-19-17(22)13-20)12-16(15)27(24,25)21-9-4-2-3-5-10-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,19,22)