N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfonyl-benzamide hydrochloride

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfonyl-benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-isopropylsulfonyl-benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-propan-2-ylsulfonylbenzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfonylbenzamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-isopropylsulfonyl-benzamide hydrochloride Formula: C25H29ClN4O3S2 MolecularWeight: 533.10576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C(C)C)C.Cl

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C(C)C)C.Cl

InChI

InChI=1S/C25H28N4O3S2.ClH/c1-17(2)34(31,32)21-8-5-7-20(15-21)24(30)29(13-6-12-28-14-11-26-16-28)25-27-23-19(4)18(3)9-10-22(23)33-25;/h5,7-11,14-17H,6,12-13H2,1-4H3;1H