ethyl 3-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]-2-methyl-benzoate Openeye Name: ethyl 3-[benzyl-(4-tert-butylphenyl)sulfonyl-amino]-2-methyl-benzoate CAS Name: 3-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-(4-tert-butylphenyl)sulfonylamino]-2-methylbenzoate Traditional Name: 3-[benzyl-(4-tert-butylphenyl)sulfonyl-amino]-2-methyl-benzoic acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H31NO4S/c1-6-32-26(29)24-13-10-14-25(20(24)2)28(19-21-11-8-7-9-12-21)33(30,31)23-17-15-22(16-18-23)27(3,4)5/h7-18H,6,19H2,1-5H3