ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-methyl-2-pyrrolyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O3S.C2H2O4/c1-18-9-3-4-15(18)14-19-10-12-20(13-11-19)24(21,22)17-7-5-16(23-2)6-8-17;3-1(4)2(5)6/h3-9H,10-14H2,1-2H3;(H,3,4)(H,5,6)