[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H26N2O5S/c1-3-17-8-6-7-16(2)21(17)23-20(25)15-29-22(26)18-9-11-19(12-10-18)30(27,28)24-13-4-5-14-24/h6-12H,3-5,13-15H2,1-2H3,(H,23,25)