ethyl 4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-prop-2-enyl-amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-prop-2-enyl-amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[allyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-chloro-3-nitrophenyl)sulfonyl-prop-2-enylamino]-1-oxopropyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-chloro-3-nitrophenyl)sulfonyl-prop-2-enylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[allyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C22H26ClN3O7S MolecularWeight: 511.97574

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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(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H26ClN3O7S/c1-7-11-25(34(31,32)16-9-10-17(23)18(12-16)26(29)30)15(5)21(27)19-13(3)20(22(28)33-8-2)24(6)14(19)4/h7,9-10,12,15H,1,8,11H2,2-6H3