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

Systemtic Name: methyl 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]benzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O6S/c1-29-20-12-11-18(31(27,28)24-13-5-3-4-6-14-24)15-19(20)21(25)23-17-9-7-16(8-10-17)22(26)30-2/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)