ethyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4-methyl-benzoate CAS Name: 3-[[[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate Traditional Name: 3-[(2-methoxy-5-pyrrolidinosulfonyl-benzoyl)amino]-4-methyl-benzoic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C22H26N2O6S/c1-4-30-22(26)16-8-7-15(2)19(13-16)23-21(25)18-14-17(9-10-20(18)29-3)31(27,28)24-11-5-6-12-24/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,25)