ethyl 4-[2-[(4-tert-butylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-tert-butylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(4-tert-butyl-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-tert-butyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-tert-butyl-N-mesyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C23H30N2O5S/c1-7-30-22(27)17-8-13-20(16(2)14-17)24-21(26)15-25(31(6,28)29)19-11-9-18(10-12-19)23(3,4)5/h8-14H,7,15H2,1-6H3,(H,24,26)