4-[[(2,5-dimethyl-1H-pyrrol-3-yl)methylamino]methyl]-N,N-diethyl-benzenesulfonamide; ethanedioic acid

Systemtic Name: 4-[[(2,5-dimethyl-1H-pyrrol-3-yl)methylamino]methyl]-N,N-diethyl-benzenesulfonamide; ethanedioic acid Openeye Name: 4-[[(2,5-dimethyl-1H-pyrrol-3-yl)methylamino]methyl]-N,N-diethyl-benzenesulfonamide; oxalic acid CAS Name: 4-[[(2,5-dimethyl-1H-pyrrol-3-yl)methylamino]methyl]-N,N-diethylbenzenesulfonamide; oxalic acid IUPAC Name: 4-[[(2,5-dimethyl-1H-pyrrol-3-yl)methylamino]methyl]-N,N-diethylbenzenesulfonamide; oxalic acid Traditional Name: 4-[[(2,5-dimethyl-1H-pyrrol-3-yl)methylamino]methyl]-N,N-diethyl-benzenesulfonamide; oxalic acid Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNCC2=C(NC(=C2)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNCC2=C(NC(=C2)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O2S.C2H2O4/c1-5-21(6-2)24(22,23)18-9-7-16(8-10-18)12-19-13-17-11-14(3)20-15(17)4;3-1(4)2(5)6/h7-11,19-20H,5-6,12-13H2,1-4H3;(H,3,4)(H,5,6)