ethyl 2-[6-chloranyl-3-[(1-methylsulfonyl-4-pyridin-2-yl-pyrrolidin-3-yl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-3-[(1-methylsulfonyl-4-pyridin-2-yl-pyrrolidin-3-yl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-3-[[1-methylsulfonyl-4-(2-pyridyl)pyrrolidin-3-yl]amino]-2-oxo-pyrazin-1-yl]acetate CAS Name: 2-[6-chloro-3-[[1-methylsulfonyl-4-(2-pyridinyl)-3-pyrrolidinyl]amino]-2-oxo-1-pyrazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-3-[(1-methylsulfonyl-4-pyridin-2-ylpyrrolidin-3-yl)amino]-2-oxopyrazin-1-yl]acetate Traditional Name: 2-[6-chloro-2-keto-3-[[1-mesyl-4-(2-pyridyl)pyrrolidin-3-yl]amino]pyrazin-1-yl]acetic acid ethyl ester Formula: C18H22ClN5O5S MolecularWeight: 455.91578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CN=C(C1=O)NC2CN(CC2C3=CC=CC=N3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)CN1C(=CN=C(C1=O)NC2CN(CC2C3=CC=CC=N3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H22ClN5O5S/c1-3-29-16(25)11-24-15(19)8-21-17(18(24)26)22-14-10-23(30(2,27)28)9-12(14)13-6-4-5-7-20-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,21,22)