N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonyl-benzamide hydrochloride

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonyl-benzamide hydrochloride Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonyl-benzamide hydrochloride CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-methylsulfonylbenzamide hydrochloride IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonylbenzamide hydrochloride Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-mesyl-benzamide hydrochloride Formula: C22H22Cl2N4O3S2 MolecularWeight: 525.47108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C)Cl.Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C)Cl.Cl

InChI

InChI=1S/C22H21ClN4O3S2.ClH/c1-15-18(23)7-8-19-20(15)25-22(31-19)27(11-4-10-26-12-9-24-14-26)21(28)16-5-3-6-17(13-16)32(2,29)30;/h3,5-9,12-14H,4,10-11H2,1-2H3;1H