2-[(2,4-dinitrophenyl)methylsulfonyl]ethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate

Systemtic Name: 2-[(2,4-dinitrophenyl)methylsulfonyl]ethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate Openeye Name: 2-[(2,4-dinitrophenyl)methylsulfonyl]ethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate CAS Name: N-[4-(diethylamino)-2-methylphenyl]carbamic acid 2-[(2,4-dinitrophenyl)methylsulfonyl]ethyl ester IUPAC Name: 2-[(2,4-dinitrophenyl)methylsulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]carbamic acid 2-(2,4-dinitrobenzyl)sulfonylethyl ester Formula: C21H26N4O8S MolecularWeight: 494.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)OCCS(=O)(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)OCCS(=O)(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O8S/c1-4-23(5-2)17-8-9-19(15(3)12-17)22-21(26)33-10-11-34(31,32)14-16-6-7-18(24(27)28)13-20(16)25(29)30/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,26)