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

Systemtic Name: 3-phenylpropyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxo-butanoate CAS Name: 4-[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(4-methylpiperazino)sulfonylanilino]butyric acid 3-phenylpropyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-26-15-17-27(18-16-26)33(30,31)22-11-9-21(10-12-22)25-23(28)13-14-24(29)32-19-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-19H2,1H3,(H,25,28)