3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid

Systemtic Name: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid Openeye Name: 3-[(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid CAS Name: 3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid IUPAC Name: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid Traditional Name: 3-[(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Formula: C17H24N2O6S MolecularWeight: 384.44726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H24N2O6S/c1-17(2,3)25-16(22)18-8-5-9-19(11-10-18)26(23,24)14-7-4-6-13(12-14)15(20)21/h4,6-7,12H,5,8-11H2,1-3H3,(H,20,21)