5-(dimethylamino)-N-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]naphthalene-1-sulfonamide Openeye Name: 5-(dimethylamino)-N-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1-naphthalenesulfonamide IUPAC Name: 5-(dimethylamino)-N-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]naphthalene-1-sulfonamide Traditional Name: 5-(dimethylamino)-N-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]naphthalene-1-sulfonamide Formula: C22H36N6O2S MolecularWeight: 448.62524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN3CCNCCNCCNCC3

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN3CCNCCNCCNCC3

InChI

InChI=1S/C22H36N6O2S/c1-27(2)21-7-3-6-20-19(21)5-4-8-22(20)31(29,30)26-15-18-28-16-13-24-11-9-23-10-12-25-14-17-28/h3-8,23-26H,9-18H2,1-2H3