3-phenylpropyl 5-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-5-oxo-pentanoate CAS Name: 5-[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(4-methylpiperazino)sulfonylanilino]valeric acid 3-phenylpropyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5S/c1-27-16-18-28(19-17-27)34(31,32)23-14-12-22(13-15-23)26-24(29)10-5-11-25(30)33-20-6-9-21-7-3-2-4-8-21/h2-4,7-8,12-15H,5-6,9-11,16-20H2,1H3,(H,26,29)