ethyl 4-[[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-anilino]-4-oxo-butanoate CAS Name: 4-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-methoxy-5-(4-methylpiperazino)sulfonyl-anilino]butyric acid ethyl ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)OC

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)OC

InChI

InChI=1S/C18H27N3O6S/c1-4-27-18(23)8-7-17(22)19-15-13-14(5-6-16(15)26-3)28(24,25)21-11-9-20(2)10-12-21/h5-6,13H,4,7-12H2,1-3H3,(H,19,22)