propan-2-yl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]benzoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzoic acid isopropyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S/c1-17(2)32-24(28)18-8-11-20(12-9-18)25-23(27)19-10-13-21(31-3)22(16-19)33(29,30)26-14-6-4-5-7-15-26/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,27)