methyl 4-[2-[1-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[1-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[3-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[4-keto-2-[1-(3-methyl-4-tosyl-piperazino)ethyl]quinazolin-3-yl]butyric acid methyl ester Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(C)C3=NC4=CC=CC=C4C(=O)N3CCCC(=O)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(C)C3=NC4=CC=CC=C4C(=O)N3CCCC(=O)OC

InChI

InChI=1S/C27H34N4O5S/c1-19-11-13-22(14-12-19)37(34,35)31-17-16-29(18-20(31)2)21(3)26-28-24-9-6-5-8-23(24)27(33)30(26)15-7-10-25(32)36-4/h5-6,8-9,11-14,20-21H,7,10,15-18H2,1-4H3