ethyl 1,3,5-trimethyl-4-[2-[phenylsulfonyl(prop-2-enyl)amino]propanoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-[2-[phenylsulfonyl(prop-2-enyl)amino]propanoyl]pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[allyl(benzenesulfonyl)amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[benzenesulfonyl(prop-2-enyl)amino]-1-oxopropyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[benzenesulfonyl(prop-2-enyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[allyl(besyl)amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC=C)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC=C)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H28N2O5S/c1-7-14-24(30(27,28)18-12-10-9-11-13-18)17(5)21(25)19-15(3)20(22(26)29-8-2)23(6)16(19)4/h7,9-13,17H,1,8,14H2,2-6H3