2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-chlorophenyl)propanamide; ethanedioic acid

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-chlorophenyl)propanamide; ethanedioic acid Openeye Name: N-(3-chlorophenyl)-2-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid CAS Name: 2-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-N-(3-chlorophenyl)propanamide; oxalic acid IUPAC Name: 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-chlorophenyl)propanamide; oxalic acid Traditional Name: N-(3-chlorophenyl)-2-[4-(4-sec-butylphenyl)sulfonylpiperazino]propionamide; oxalic acid Formula: C25H32ClN3O7S MolecularWeight: 554.05548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30ClN3O3S.C2H2O4/c1-4-17(2)19-8-10-22(11-9-19)31(29,30)27-14-12-26(13-15-27)18(3)23(28)25-21-7-5-6-20(24)16-21;3-1(4)2(5)6/h5-11,16-18H,4,12-15H2,1-3H3,(H,25,28);(H,3,4)(H,5,6)