4-(4-aminophenyl)sulfanyl-3-[bis[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-aminophenyl)sulfanyl-3-[bis[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-aminophenyl)sulfanyl-3-[bis[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-aminophenyl)thio]-3-[bis[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-aminophenyl)sulfanyl-3-[bis[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 4-[(4-aminophenyl)thio]-3-[bis[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN(CC=CC)C1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=C(C=C2)N

Isomeric SMILES

C/C=C/CN(C1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=C(C=C2)N)C/C=C/C

InChI

InChI=1S/C21H25N3O4S2/c1-3-5-11-24(12-6-4-2)18-13-15(21(25)26)14-19(30(23,27)28)20(18)29-17-9-7-16(22)8-10-17/h3-10,13-14H,11-12,22H2,1-2H3,(H,25,26)(H2,23,27,28)/b5-3+,6-4+