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

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine Openeye Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(1-methyl-2-pyrrolyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid Traditional Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-tosyl-piperazine; oxalic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CN3C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CN3C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O2S.C2H2O4/c1-15-5-7-17(8-6-15)23(21,22)20-12-10-19(11-13-20)14-16-4-3-9-18(16)2;3-1(4)2(5)6/h3-9H,10-14H2,1-2H3;(H,3,4)(H,5,6)