methyl 4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[[4-(6-methyl-1H-benzimidazol-2-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-14-3-8-18-19(13-14)23-20(22-18)15-9-11-24(12-10-15)29(26,27)17-6-4-16(5-7-17)21(25)28-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,23)