[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c30-25(28-18-16-27(17-19-28)20-22-8-4-3-5-9-22)21-34-26(31)23-10-12-24(13-11-23)35(32,33)29-14-6-1-2-7-15-29/h3-5,8-13H,1-2,6-7,14-21H2