1-[1-oxidanylidene-4-[2-(phenethylamino)ethyl]-3-(1-sulfonylpropyl)-2H-1,3-benzothiazol-2-yl]ethanamine

Systemtic Name: 1-[1-oxidanylidene-4-[2-(phenethylamino)ethyl]-3-(1-sulfonylpropyl)-2H-1,3-benzothiazol-2-yl]ethanamine Openeye Name: 1-[1-oxo-4-[2-(phenethylamino)ethyl]-3-(1-sulfonylpropyl)-2H-1,3-benzothiazol-2-yl]ethanamine CAS Name: 1-[1-oxo-4-[2-(phenethylamino)ethyl]-3-(1-sulfonylpropyl)-2H-1,3-benzothiazol-2-yl]ethanamine IUPAC Name: 1-[1-oxo-4-[2-(phenethylamino)ethyl]-3-(1-sulfonylpropyl)-2H-1,3-benzothiazol-2-yl]ethanamine Traditional Name: 2-[2-(1-aminoethyl)-1-keto-3-(1-sulfonylpropyl)-2H-1,3-benzothiazol-4-yl]ethyl-phenethyl-amine Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S(=O)=O)N1C(S(=O)C2=CC=CC(=C21)CCNCCC3=CC=CC=C3)C(C)N

Isomeric SMILES

CCC(=S(=O)=O)N1C(S(=O)C2=CC=CC(=C21)CCNCCC3=CC=CC=C3)C(C)N

InChI

InChI=1S/C22H29N3O3S2/c1-3-20(30(27)28)25-21-18(10-7-11-19(21)29(26)22(25)16(2)23)13-15-24-14-12-17-8-5-4-6-9-17/h4-11,16,22,24H,3,12-15,23H2,1-2H3