N-(2,4-dimethylphenyl)-4-[(2-methoxy-2-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(2-methoxy-2-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(2-methoxy-2-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[(2-methoxy-2-phenylethyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(2-methoxy-2-phenylethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(2-methoxy-2-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N3O5S/c1-16-9-11-20(17(2)13-16)25-32(29,30)19-10-12-21(22(14-19)26(27)28)24-15-23(31-3)18-7-5-4-6-8-18/h4-14,23-25H,15H2,1-3H3