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

Systemtic Name: methyl 5-[(2S)-2-[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-[3-(azepan-1-ylsulfonyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[[3-(1-azepanylsulfonyl)phenyl]-oxomethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-[3-(azepan-1-ylsulfonyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[3-(azepan-1-ylsulfonyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O7S/c1-15-20(24(29)32-4)16(2)25-21(15)22(27)17(3)33-23(28)18-10-9-11-19(14-18)34(30,31)26-12-7-5-6-8-13-26/h9-11,14,17,25H,5-8,12-13H2,1-4H3/t17-/m0/s1