methyl 2-(2-azanyl-4,5-dimethyl-1-phenethyl-pyrrol-3-yl)sulfonylethanoate

Systemtic Name: methyl 2-(2-azanyl-4,5-dimethyl-1-phenethyl-pyrrol-3-yl)sulfonylethanoate Openeye Name: methyl 2-(2-amino-4,5-dimethyl-1-phenethyl-pyrrol-3-yl)sulfonylacetate CAS Name: 2-[(2-amino-4,5-dimethyl-1-phenethyl-3-pyrrolyl)sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-4,5-dimethyl-1-phenethylpyrrol-3-yl)sulfonylacetate Traditional Name: 2-(2-amino-4,5-dimethyl-1-phenethyl-pyrrol-3-yl)sulfonylacetic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)CC(=O)OC)N)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)CC(=O)OC)N)CCC2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2O4S/c1-12-13(2)19(10-9-14-7-5-4-6-8-14)17(18)16(12)24(21,22)11-15(20)23-3/h4-8H,9-11,18H2,1-3H3