methyl 4-[[4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoate

Systemtic Name: methyl 4-[[4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoate Openeye Name: methyl 4-[[4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-3-pyrrolyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(azepane-1-carbonyl)-1,2,5-trimethylpyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 4-[[4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O5S/c1-15-19(21(26)25-13-7-5-6-8-14-25)20(16(2)24(15)3)31(28,29)23-18-11-9-17(10-12-18)22(27)30-4/h9-12,23H,5-8,13-14H2,1-4H3