3-[5-(azepan-1-ylsulfonyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-(azepan-1-ylsulfonyl)indol-1-yl]propanoic acid CAS Name: 3-[5-(1-azepanylsulfonyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-(azepan-1-ylsulfonyl)indol-1-yl]propionic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)O

InChI

InChI=1S/C17H22N2O4S/c20-17(21)8-12-18-11-7-14-13-15(5-6-16(14)18)24(22,23)19-9-3-1-2-4-10-19/h5-7,11,13H,1-4,8-10,12H2,(H,20,21)