(2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]-3-phenyl-propionate Formula: C23H25N2O7S- MolecularWeight: 473.5188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N2O7S/c26-22(24-19(23(27)28)14-16-4-2-1-3-5-16)17-8-10-25(11-9-17)33(29,30)18-6-7-20-21(15-18)32-13-12-31-20/h1-7,15,17,19H,8-14H2,(H,24,26)(H,27,28)/p-1/t19-/m0/s1