butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]benzoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzoic acid butyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-3-4-17-33-25(29)19-9-12-21(13-10-19)26-24(28)20-11-14-22(32-2)23(18-20)34(30,31)27-15-7-5-6-8-16-27/h9-14,18H,3-8,15-17H2,1-2H3,(H,26,28)