methyl 4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylamino]benzoate

Systemtic Name: methyl 4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylamino]benzoate Openeye Name: methyl 4-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylamino]benzoate CAS Name: 4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylamino]benzoate Traditional Name: 4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylamino]benzoic acid methyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H28N4O4S/c1-3-27-21-12-11-19(32(29,30)26-13-5-4-6-14-26)15-20(21)25-22(27)16-24-18-9-7-17(8-10-18)23(28)31-2/h7-12,15,24H,3-6,13-14,16H2,1-2H3