cyclohexylsulfamic acid; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: cyclohexylsulfamic acid; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: cyclohexylsulfamic acid; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: cyclohexylsulfamic acid; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate IUPAC Name: cyclohexylsulfamic acid; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: cyclohexylsulfamic acid; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Formula: C22H27N2O5S- MolecularWeight: 431.52518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)O.C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)O.C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H15NO2.C6H13NO3S/c18-16(19)17-11-10-12-6-4-5-9-14(12)15(17)13-7-2-1-3-8-13;8-11(9,10)7-6-4-2-1-3-5-6/h1-9,15H,10-11H2,(H,18,19);6-7H,1-5H2,(H,8,9,10)/p-1