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

Systemtic Name: methyl 4-[2-[1-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[4-keto-2-[1-(3-methyl-4-nosyl-piperazino)ethyl]quinazolin-3-yl]butyric acid methyl ester Formula: C26H31N5O7S MolecularWeight: 557.61864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3CCCC(=O)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3CCCC(=O)OC

InChI

InChI=1S/C26H31N5O7S/c1-18-17-28(15-16-30(18)39(36,37)21-12-10-20(11-13-21)31(34)35)19(2)25-27-23-8-5-4-7-22(23)26(33)29(25)14-6-9-24(32)38-3/h4-5,7-8,10-13,18-19H,6,9,14-17H2,1-3H3