N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonyl-propanamide hydrochloride

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonyl-propanamide hydrochloride Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(p-tolylsulfonyl)propanamide hydrochloride CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonylpropanamide hydrochloride IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfonylpropanamide hydrochloride Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-tosyl-propionamide hydrochloride Formula: C23H30ClN3O3S2 MolecularWeight: 496.0856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)C.Cl

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)C.Cl

InChI

InChI=1S/C23H29N3O3S2.ClH/c1-4-25(5-2)15-16-26(23-24-20-8-6-7-9-21(20)30-23)22(27)14-17-31(28,29)19-12-10-18(3)11-13-19;/h6-13H,4-5,14-17H2,1-3H3;1H