N-(2-dimethylaminoethyl)-4-(2-naphthalen-2-yloxyethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(2-naphthalen-2-yloxyethylamino)-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[2-(2-naphthyloxy)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[2-(2-naphthalenyloxy)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(2-naphthalen-2-yloxyethylamino)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[2-(2-naphthoxy)ethylamino]-3-nitro-benzenesulfonamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCOC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCOC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-25(2)13-11-24-32(29,30)20-9-10-21(22(16-20)26(27)28)23-12-14-31-19-8-7-17-5-3-4-6-18(17)15-19/h3-10,15-16,23-24H,11-14H2,1-2H3