3-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenylazanyl-5-(thiophen-3-ylmethylamino)benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)sulfonyl-4-phenylazanyl-5-(thiophen-3-ylmethylamino)benzoic acid Openeye Name: 4-anilino-3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(3-thienylmethylamino)benzoic acid CAS Name: 4-anilino-3-[(2,5-dimethyl-1-pyrrolyl)sulfonyl]-5-(3-thiophenylmethylamino)benzoic acid IUPAC Name: 4-anilino-3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(thiophen-3-ylmethylamino)benzoic acid Traditional Name: 4-anilino-3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(3-thenylamino)benzoic acid Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2NC3=CC=CC=C3)NCC4=CSC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2NC3=CC=CC=C3)NCC4=CSC=C4)C(=O)O)C

InChI

InChI=1S/C24H23N3O4S2/c1-16-8-9-17(2)27(16)33(30,31)22-13-19(24(28)29)12-21(25-14-18-10-11-32-15-18)23(22)26-20-6-4-3-5-7-20/h3-13,15,25-26H,14H2,1-2H3,(H,28,29)