methyl 2-[2-azanyl-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]sulfonylethanoate

Systemtic Name: methyl 2-[2-azanyl-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]sulfonylethanoate Openeye Name: methyl 2-[2-amino-4,5-dimethyl-1-(3-pyridylmethyl)pyrrol-3-yl]sulfonylacetate CAS Name: 2-[[2-amino-4,5-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-amino-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]sulfonylacetate Traditional Name: 2-[2-amino-4,5-dimethyl-1-(3-pyridylmethyl)pyrrol-3-yl]sulfonylacetic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)CC(=O)OC)N)CC2=CN=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)CC(=O)OC)N)CC2=CN=CC=C2)C

InChI

InChI=1S/C15H19N3O4S/c1-10-11(2)18(8-12-5-4-6-17-7-12)15(16)14(10)23(20,21)9-13(19)22-3/h4-7H,8-9,16H2,1-3H3