4-[1-(4-chlorophenyl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-(4-chlorophenyl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(4-chlorophenyl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[1-(4-chlorophenyl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(4-chlorophenyl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[1-(4-chlorophenyl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C18H23ClN4O4S MolecularWeight: 426.91762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN4O4S/c1-13(14-4-6-15(19)7-5-14)21-17-9-8-16(12-18(17)23(24)25)28(26,27)20-10-11-22(2)3/h4-9,12-13,20-21H,10-11H2,1-3H3