3-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-4-methyl-benzoate

Systemtic Name: 3-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-4-methyl-benzoate Openeye Name: 4-methyl-3-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]benzoate CAS Name: 3-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-4-methylbenzoate IUPAC Name: 3-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-4-methylbenzoate Traditional Name: 4-methyl-3-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]benzoate Formula: C18H20NO4S- MolecularWeight: 346.4207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C18H21NO4S/c1-4-12(2)14-7-9-16(10-8-14)24(22,23)19-17-11-15(18(20)21)6-5-13(17)3/h5-12,19H,4H2,1-3H3,(H,20,21)/p-1/t12-/m0/s1