4-[azanyl-[1-(2,3-dihydro-1,3-benzothiazol-2-yl)propyl]amino]benzenesulfonic acid

Systemtic Name: 4-[azanyl-[1-(2,3-dihydro-1,3-benzothiazol-2-yl)propyl]amino]benzenesulfonic acid Openeye Name: 4-[amino-[1-(2,3-dihydro-1,3-benzothiazol-2-yl)propyl]amino]benzenesulfonic acid CAS Name: 4-[amino-[1-(2,3-dihydro-1,3-benzothiazol-2-yl)propyl]amino]benzenesulfonic acid IUPAC Name: 4-[amino-[1-(2,3-dihydro-1,3-benzothiazol-2-yl)propyl]amino]benzenesulfonic acid Traditional Name: 4-[amino-[1-(2,3-dihydro-1,3-benzothiazol-2-yl)propyl]amino]besylic acid Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1NC2=CC=CC=C2S1)N(C3=CC=C(C=C3)S(=O)(=O)O)N

Isomeric SMILES

CCC(C1NC2=CC=CC=C2S1)N(C3=CC=C(C=C3)S(=O)(=O)O)N

InChI

InChI=1S/C16H19N3O3S2/c1-2-14(16-18-13-5-3-4-6-15(13)23-16)19(17)11-7-9-12(10-8-11)24(20,21)22/h3-10,14,16,18H,2,17H2,1H3,(H,20,21,22)