(4-bromophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (4-bromophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (4-bromophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid (4-bromophenyl) ester Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H17BrN2O4S/c1-18-11-14(24(21,22)19-8-2-3-9-19)10-15(18)16(20)23-13-6-4-12(17)5-7-13/h4-7,10-11H,2-3,8-9H2,1H3