[4-[(3-nitrophenyl)carbonyl-(2,4,6-trimethylphenyl)sulfonyl-amino]naphthalen-1-yl] 3-nitrobenzoate

Systemtic Name: [4-[(3-nitrophenyl)carbonyl-(2,4,6-trimethylphenyl)sulfonyl-amino]naphthalen-1-yl] 3-nitrobenzoate Openeye Name: [4-[(3-nitrobenzoyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]-1-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[(3-nitrophenyl)-oxomethyl]-(2,4,6-trimethylphenyl)sulfonylamino]-1-naphthalenyl] ester IUPAC Name: [4-[(3-nitrobenzoyl)-(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[mesitylsulfonyl-(3-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C33H25N3O9S MolecularWeight: 639.6313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C33H25N3O9S/c1-20-16-21(2)31(22(3)17-20)46(43,44)34(32(37)23-8-6-10-25(18-23)35(39)40)29-14-15-30(28-13-5-4-12-27(28)29)45-33(38)24-9-7-11-26(19-24)36(41)42/h4-19H,1-3H3