[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)N(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)N(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H30N4O6S/c1-23(2)18-7-5-17(6-8-18)14-25(4)21(27)16-32-22(28)20-13-19(15-24(20)3)33(29,30)26-9-11-31-12-10-26/h5-8,13,15H,9-12,14,16H2,1-4H3