methyl 4-[2-[1-[naphthalen-1-ylsulfonyl(phenethyl)amino]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[1-[naphthalen-1-ylsulfonyl(phenethyl)amino]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[1-naphthylsulfonyl(phenethyl)amino]ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[1-naphthalenylsulfonyl(phenethyl)amino]ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[naphthalen-1-ylsulfonyl(phenethyl)amino]ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[4-keto-2-[1-[1-naphthylsulfonyl(phenethyl)amino]ethyl]quinazolin-3-yl]butyric acid methyl ester Formula: C33H33N3O5S MolecularWeight: 583.69722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)N(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)N(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C33H33N3O5S/c1-24(32-34-29-18-9-8-17-28(29)33(38)35(32)22-11-20-31(37)41-2)36(23-21-25-12-4-3-5-13-25)42(39,40)30-19-10-15-26-14-6-7-16-27(26)30/h3-10,12-19,24H,11,20-23H2,1-2H3