phenethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxo-butanoate CAS Name: 4-[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(4-methylpiperazino)sulfonylanilino]butyric acid phenethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-25-14-16-26(17-15-25)32(29,30)21-9-7-20(8-10-21)24-22(27)11-12-23(28)31-18-13-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,24,27)