4-phenoxy-3-pyrrol-1-ylsulfonyl-5-(thiophen-3-ylmethylamino)benzoic acid

Systemtic Name: 4-phenoxy-3-pyrrol-1-ylsulfonyl-5-(thiophen-3-ylmethylamino)benzoic acid Openeye Name: 4-phenoxy-3-pyrrol-1-ylsulfonyl-5-(3-thienylmethylamino)benzoic acid CAS Name: 4-phenoxy-3-(1-pyrrolylsulfonyl)-5-(3-thiophenylmethylamino)benzoic acid IUPAC Name: 4-phenoxy-3-pyrrol-1-ylsulfonyl-5-(thiophen-3-ylmethylamino)benzoic acid Traditional Name: 4-phenoxy-3-pyrrol-1-ylsulfonyl-5-(3-thenylamino)benzoic acid Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N3C=CC=C3)C(=O)O)NCC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N3C=CC=C3)C(=O)O)NCC4=CSC=C4

InChI

InChI=1S/C22H18N2O5S2/c25-22(26)17-12-19(23-14-16-8-11-30-15-16)21(29-18-6-2-1-3-7-18)20(13-17)31(27,28)24-9-4-5-10-24/h1-13,15,23H,14H2,(H,25,26)