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

Systemtic Name: methyl 4-[2-[1-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-[1-(4-besyl-3-methyl-piperazino)ethyl]-4-keto-quinazolin-3-yl]butyric acid methyl ester Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O5S/c1-19-18-28(16-17-30(19)36(33,34)21-10-5-4-6-11-21)20(2)25-27-23-13-8-7-12-22(23)26(32)29(25)15-9-14-24(31)35-3/h4-8,10-13,19-20H,9,14-18H2,1-3H3