ethyl N-[3-azanyl-5-[2-(4-methylsulfonylphenyl)ethylamino]-4-nitro-phenyl]carbamate

Systemtic Name: ethyl N-[3-azanyl-5-[2-(4-methylsulfonylphenyl)ethylamino]-4-nitro-phenyl]carbamate Openeye Name: ethyl N-[3-amino-5-[2-(4-methylsulfonylphenyl)ethylamino]-4-nitro-phenyl]carbamate CAS Name: N-[3-amino-5-[2-(4-methylsulfonylphenyl)ethylamino]-4-nitrophenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-amino-5-[2-(4-methylsulfonylphenyl)ethylamino]-4-nitrophenyl]carbamate Traditional Name: N-[3-amino-5-[2-(4-mesylphenyl)ethylamino]-4-nitro-phenyl]carbamic acid ethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=C(C(=C1)NCCC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=CC(=C(C(=C1)NCCC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N

InChI

InChI=1S/C18H22N4O6S/c1-3-28-18(23)21-13-10-15(19)17(22(24)25)16(11-13)20-9-8-12-4-6-14(7-5-12)29(2,26)27/h4-7,10-11,20H,3,8-9,19H2,1-2H3,(H,21,23)