N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonyl-benzamide hydrochloride

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonyl-benzamide hydrochloride Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonyl-benzamide hydrochloride CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-methylsulfonylbenzamide hydrochloride IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-methylsulfonylbenzamide hydrochloride Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-mesyl-benzamide hydrochloride Formula: C22H22Cl2N4O3S2 MolecularWeight: 525.47108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C.Cl

InChI

InChI=1S/C22H21ClN4O3S2.ClH/c1-15-7-8-18(23)20-19(15)25-22(31-20)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