butyl 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]benzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]benzoic acid butyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C25H32N2O5S/c1-3-4-17-32-25(29)20-10-12-21(13-11-20)26-24(28)23-18-22(14-9-19(23)2)33(30,31)27-15-7-5-6-8-16-27/h9-14,18H,3-8,15-17H2,1-2H3,(H,26,28)