ethyl 3-chloranyl-4-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-nitro-anilino]acetyl]amino]-3-chloro-benzoate CAS Name: 4-[[2-[N-(benzenesulfonyl)-4-nitroanilino]-1-oxoethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]amino]-3-chlorobenzoate Traditional Name: 4-[[2-(N-besyl-4-nitro-anilino)acetyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C23H20ClN3O7S MolecularWeight: 517.9388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H20ClN3O7S/c1-2-34-23(29)16-8-13-21(20(24)14-16)25-22(28)15-26(17-9-11-18(12-10-17)27(30)31)35(32,33)19-6-4-3-5-7-19/h3-14H,2,15H2,1H3,(H,25,28)