ethanedioic acid; N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamide Openeye Name: N-[4-(4-isopropylpiperazin-1-yl)sulfonylphenyl]acetamide; oxalic acid CAS Name: oxalic acid; N-[4-[(4-propan-2-yl-1-piperazinyl)sulfonyl]phenyl]acetamide IUPAC Name: oxalic acid; N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide Traditional Name: N-[4-(4-isopropylpiperazino)sulfonylphenyl]acetamide; oxalic acid Formula: C17H25N3O7S MolecularWeight: 415.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3O3S.C2H2O4/c1-12(2)17-8-10-18(11-9-17)22(20,21)15-6-4-14(5-7-15)16-13(3)19;3-1(4)2(5)6/h4-7,12H,8-11H2,1-3H3,(H,16,19);(H,3,4)(H,5,6)