5,6-dimethyl-1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-benzimidazole

Systemtic Name: 5,6-dimethyl-1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-benzimidazole Openeye Name: 5,6-dimethyl-1-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]sulfonyl-benzimidazole CAS Name: 5,6-dimethyl-1-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonylbenzimidazole IUPAC Name: 5,6-dimethyl-1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylbenzimidazole Traditional Name: 5,6-dimethyl-1-[4-(3-methylpiperidino)sulfonylphenyl]sulfonyl-benzimidazole Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3C=NC4=C3C=C(C(=C4)C)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3C=NC4=C3C=C(C(=C4)C)C

InChI

InChI=1S/C21H25N3O4S2/c1-15-5-4-10-23(13-15)29(25,26)18-6-8-19(9-7-18)30(27,28)24-14-22-20-11-16(2)17(3)12-21(20)24/h6-9,11-12,14-15H,4-5,10,13H2,1-3H3