[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C23H33N3O6S MolecularWeight: 479.58962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C23H33N3O6S/c1-18(27)25-13-15-26(16-14-25)33(30,31)21-11-9-19(10-12-21)23(29)32-17-22(28)24-20-7-5-3-2-4-6-8-20/h9-12,20H,2-8,13-17H2,1H3,(H,24,28)