4-(1,4-diazepan-1-yl)naphthalene-1-sulfonic acid

Systemtic Name: 4-(1,4-diazepan-1-yl)naphthalene-1-sulfonic acid Openeye Name: 4-(1,4-diazepan-1-yl)naphthalene-1-sulfonic acid CAS Name: 4-(1,4-diazepan-1-yl)-1-naphthalenesulfonic acid IUPAC Name: 4-(1,4-diazepan-1-yl)naphthalene-1-sulfonic acid Traditional Name: 4-(1,4-diazepan-1-yl)naphthalene-1-sulfonic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

C1CNCCN(C1)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C15H18N2O3S/c18-21(19,20)15-7-6-14(12-4-1-2-5-13(12)15)17-10-3-8-16-9-11-17/h1-2,4-7,16H,3,8-11H2,(H,18,19,20)