2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide; ethanedioic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide; ethanedioic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide; oxalic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide; oxalic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide; oxalic acid Traditional Name: oxalic acid; N-(4-piperidinosulfonylphenyl)-2-(veratrylamino)propionamide Formula: C25H33N3O9S MolecularWeight: 551.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O5S.C2H2O4/c1-17(24-16-18-7-12-21(30-2)22(15-18)31-3)23(27)25-19-8-10-20(11-9-19)32(28,29)26-13-5-4-6-14-26;3-1(4)2(5)6/h7-12,15,17,24H,4-6,13-14,16H2,1-3H3,(H,25,27);(H,3,4)(H,5,6)