methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate

Systemtic Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate Openeye Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate CAS Name: 3-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate Traditional Name: 3-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)carbamoyl]benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O6S/c1-3-29-18-10-9-17(14-19(18)30(26,27)23-11-4-5-12-23)22-20(24)15-7-6-8-16(13-15)21(25)28-2/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,24)