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

Systemtic Name: 3-phenylpropyl 4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(4-methylpiperidino)sulfonylanilino]butyric acid 3-phenylpropyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-20-15-17-27(18-16-20)33(30,31)23-11-9-22(10-12-23)26-24(28)13-14-25(29)32-19-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-12,20H,5,8,13-19H2,1H3,(H,26,28)