ethanedioic acid; 2-(3-ethoxypropylamino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(3-ethoxypropylamino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-ethoxypropylamino)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3-ethoxypropylamino)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3-ethoxypropylamino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3-ethoxypropylamino)-1-(4-tosylpiperazino)ethanone; oxalic acid Formula: C20H31N3O8S MolecularWeight: 473.54044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S.C2H2O4/c1-3-25-14-4-9-19-15-18(22)20-10-12-21(13-11-20)26(23,24)17-7-5-16(2)6-8-17;3-1(4)2(5)6/h5-8,19H,3-4,9-15H2,1-2H3;(H,3,4)(H,5,6)