[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H27ClN2O5S MolecularWeight: 503.01028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H27ClN2O5S/c1-18-16-23(19(2)28(18)15-13-20-6-4-3-5-7-20)24(29)17-33-25(30)12-14-27-34(31,32)22-10-8-21(26)9-11-22/h3-11,16,27H,12-15,17H2,1-2H3