methyl 2-[4-[(4-dimethylaminophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-dimethylaminophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-dimethylaminophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(4-dimethylaminophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-dimethylaminophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[4-(dimethylamino)benzyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H29N3O5S/c1-25(2)19-10-8-17(9-11-19)16-24-22(27)18-12-14-26(15-13-18)32(29,30)21-7-5-4-6-20(21)23(28)31-3/h4-11,18H,12-16H2,1-3H3,(H,24,27)