methyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-28-20(25)17-6-8-18(9-7-17)29(26,27)23-14-12-21(13-15-23)16-19(24)22-10-4-2-3-5-11-22/h6-9H,2-5,10-16H2,1H3