ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(1-azepanylsulfonyl)-4-methylanilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O7S/c1-3-33-23(28)18-12-17(13-20(14-18)26(29)30)22(27)24-19-9-8-16(2)21(15-19)34(31,32)25-10-6-4-5-7-11-25/h8-9,12-15H,3-7,10-11H2,1-2H3,(H,24,27)