methyl 2-[[4-[2-[dimethylcarbamoylsulfonyl(pentanoyl)amino]phenyl]phenyl]methylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[[4-[2-[dimethylcarbamoylsulfonyl(pentanoyl)amino]phenyl]phenyl]methylamino]-3-nitro-benzoate Openeye Name: methyl 2-[[4-[2-[dimethylcarbamoylsulfonyl(pentanoyl)amino]phenyl]phenyl]methylamino]-3-nitro-benzoate CAS Name: 2-[[4-[2-[[dimethylamino(oxo)methyl]sulfonyl-(1-oxopentyl)amino]phenyl]phenyl]methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-[dimethylcarbamoylsulfonyl(pentanoyl)amino]phenyl]phenyl]methylamino]-3-nitrobenzoate Traditional Name: 2-[[4-[2-[dimethylcarbamoylsulfonyl(valeryl)amino]phenyl]benzyl]amino]-3-nitro-benzoic acid methyl ester Formula: C29H32N4O8S MolecularWeight: 596.65138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC)S(=O)(=O)C(=O)N(C)C

Isomeric SMILES

CCCCC(=O)N(C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC)S(=O)(=O)C(=O)N(C)C

InChI

InChI=1S/C29H32N4O8S/c1-5-6-14-26(34)32(42(39,40)29(36)31(2)3)24-12-8-7-10-22(24)21-17-15-20(16-18-21)19-30-27-23(28(35)41-4)11-9-13-25(27)33(37)38/h7-13,15-18,30H,5-6,14,19H2,1-4H3