6-methyl-2-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

Systemtic Name: 6-methyl-2-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Openeye Name: 6-methyl-2-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-4-piperidyl]-1H-benzimidazole CAS Name: 6-methyl-2-[1-[3-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1H-benzimidazole IUPAC Name: 6-methyl-2-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 6-methyl-2-[1-(3-pyrrolidinosulfonylphenyl)sulfonyl-4-piperidyl]-1H-benzimidazole Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H28N4O4S2/c1-17-7-8-21-22(15-17)25-23(24-21)18-9-13-27(14-10-18)33(30,31)20-6-4-5-19(16-20)32(28,29)26-11-2-3-12-26/h4-8,15-16,18H,2-3,9-14H2,1H3,(H,24,25)