2-[(4-chlorophenyl)methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[(4-chlorophenyl)methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide; ethanedioic acid Openeye Name: 2-[(4-chlorophenyl)methylamino]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide; oxalic acid CAS Name: 2-[(4-chlorophenyl)methylamino]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide; oxalic acid IUPAC Name: 2-[(4-chlorophenyl)methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide; oxalic acid Traditional Name: 2-[(4-chlorobenzyl)amino]-N-(3-piperidinosulfonylphenyl)acetamide; oxalic acid Formula: C22H26ClN3O7S MolecularWeight: 511.97574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNCC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNCC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24ClN3O3S.C2H2O4/c21-17-9-7-16(8-10-17)14-22-15-20(25)23-18-5-4-6-19(13-18)28(26,27)24-11-2-1-3-12-24;3-1(4)2(5)6/h4-10,13,22H,1-3,11-12,14-15H2,(H,23,25);(H,3,4)(H,5,6)