ethyl (2S)-2-[[4-(2-methylpropoxycarbonylamino)phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[4-(2-methylpropoxycarbonylamino)phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[4-(isobutoxycarbonylamino)phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-[[2-methylpropoxy(oxo)methyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-(2-methylpropoxycarbonylamino)phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(isobutoxycarbonylamino)phenyl]sulfonylamino]-3-phenyl-propionic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OCC(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OCC(C)C

InChI

InChI=1S/C22H28N2O6S/c1-4-29-21(25)20(14-17-8-6-5-7-9-17)24-31(27,28)19-12-10-18(11-13-19)23-22(26)30-15-16(2)3/h5-13,16,20,24H,4,14-15H2,1-3H3,(H,23,26)/t20-/m0/s1