[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-19(21-10-6-5-7-11-21)18-26-24(28)20(2)32-25(29)22-12-14-23(15-13-22)33(30,31)27-16-8-3-4-9-17-27/h5-7,10-15,19-20H,3-4,8-9,16-18H2,1-2H3,(H,26,28)/t19-,20+/m1/s1