methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate

Systemtic Name: methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate Openeye Name: methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate CAS Name: 4-(1-azepanyl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5S/c1-27-17-8-10-18(11-9-17)29(25,26)22-19-15-16(21(24)28-2)7-12-20(19)23-13-5-3-4-6-14-23/h7-12,15,22H,3-6,13-14H2,1-2H3