ethyl 2-methyl-3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 2-methyl-3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 2-methyl-3-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 2-methyl-3-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-methyl-3-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C)C

InChI

InChI=1S/C23H28N2O5S/c1-4-30-23(27)19-9-8-10-21(17(19)3)24-22(26)20-15-18(12-11-16(20)2)31(28,29)25-13-6-5-7-14-25/h8-12,15H,4-7,13-14H2,1-3H3,(H,24,26)