2-azanyl-4-[(1-methylindol-5-yl)sulfonyl-(3,4,5-trimethoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[(1-methylindol-5-yl)sulfonyl-(3,4,5-trimethoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-oxo-4-(3,4,5-trimethoxy-N-(1-methylindol-5-yl)sulfonyl-anilino)butanoic acid CAS Name: 2-amino-4-oxo-4-[3,4,5-trimethoxy-N-[(1-methyl-5-indolyl)sulfonyl]anilino]butanoic acid IUPAC Name: 2-amino-4-oxo-4-(3,4,5-trimethoxy-N-(1-methylindol-5-yl)sulfonylanilino)butanoic acid Traditional Name: 2-amino-4-keto-4-(3,4,5-trimethoxy-N-(1-methylindol-5-yl)sulfonyl-anilino)butyric acid Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N(C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C(=O)O)N

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N(C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C(=O)O)N

InChI

InChI=1S/C22H25N3O8S/c1-24-8-7-13-9-15(5-6-17(13)24)34(29,30)25(20(26)12-16(23)22(27)28)14-10-18(31-2)21(33-4)19(11-14)32-3/h5-11,16H,12,23H2,1-4H3,(H,27,28)