4-(azepan-1-ylcarbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-o-anisyl-pyrrole-3-sulfonamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=CC=C2OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC=CC=C2OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H31N3O4S/c1-16-20(22(26)25-13-9-5-6-10-14-25)21(17(2)24(16)3)30(27,28)23-15-18-11-7-8-12-19(18)29-4/h7-8,11-12,23H,5-6,9-10,13-15H2,1-4H3