N-(2-dimethylaminoethyl)-4-[2-(4-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[2-(4-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[2-(4-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[2-(4-methylphenoxy)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[2-(4-methylphenoxy)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[2-(4-methylphenoxy)ethylamino]-3-nitro-benzenesulfonamide Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5S/c1-15-4-6-16(7-5-15)28-13-11-20-18-9-8-17(14-19(18)23(24)25)29(26,27)21-10-12-22(2)3/h4-9,14,20-21H,10-13H2,1-3H3