4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-2-[(4-phenoxyphenyl)sulfonyl-prop-2-ynyl-amino]butanoic acid

Systemtic Name: 4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-2-[(4-phenoxyphenyl)sulfonyl-prop-2-ynyl-amino]butanoic acid Openeye Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-2-[(4-phenoxyphenyl)sulfonyl-prop-2-ynyl-amino]butanoic acid CAS Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-2-[(4-phenoxyphenyl)sulfonyl-prop-2-ynylamino]butanoic acid IUPAC Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-2-[(4-phenoxyphenyl)sulfonyl-prop-2-ynylamino]butanoic acid Traditional Name: 4-(2,4-diketo-1H-quinazolin-3-yl)-2-[(4-phenoxyphenyl)sulfonyl-propargyl-amino]butyric acid Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C(CCN1C(=O)C2=CC=CC=C2NC1=O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C#CCN(C(CCN1C(=O)C2=CC=CC=C2NC1=O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H23N3O7S/c1-2-17-30(38(35,36)21-14-12-20(13-15-21)37-19-8-4-3-5-9-19)24(26(32)33)16-18-29-25(31)22-10-6-7-11-23(22)28-27(29)34/h1,3-15,24H,16-18H2,(H,28,34)(H,32,33)