methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(1-azepanylsulfonyl)-4-methylanilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)S(=O)(=O)N3CCCCCC3

InChI

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