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[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name:[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate
Openeye Name:[2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-nitrobenzoate
CAS Name:4-nitrobenzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester
IUPAC Name:[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-nitrobenzoate
Traditional Name:4-nitrobenzoic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester
Formula: C20H21N3O8S
MolecularWeight: 463.46104
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3


Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3


InChI

InChI=1S/C20H21N3O8S/c1-14-2-5-16(12-18(14)32(28,29)22-8-10-30-11-9-22)21-19(24)13-31-20(25)15-3-6-17(7-4-15)23(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,24)


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