N-[4-[[4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]phenyl]ethanamide Openeye Name: N-[4-[[4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]phenyl]acetamide CAS Name: N-[4-[[4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-3-pyrrolyl]sulfonylamino]phenyl]acetamide IUPAC Name: N-[4-[[4-(azepane-1-carbonyl)-1,2,5-trimethylpyrrol-3-yl]sulfonylamino]phenyl]acetamide Traditional Name: N-[4-[[4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]phenyl]acetamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S/c1-15-20(22(28)26-13-7-5-6-8-14-26)21(16(2)25(15)4)31(29,30)24-19-11-9-18(10-12-19)23-17(3)27/h9-12,24H,5-8,13-14H2,1-4H3,(H,23,27)