ethyl 3-[[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carbonyl]amino]benzoate CAS Name: 3-[[[4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)-1-methylpyrrole-2-carbonyl]amino]benzoate Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carbonyl]amino]benzoic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O5S/c1-3-29-21(26)16-9-8-10-17(13-16)22-20(25)19-14-18(15-23(19)2)30(27,28)24-11-6-4-5-7-12-24/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,22,25)