N-[1-(3,4-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-11-7-8-14(9-12(11)2)13(3)17-23(21,22)16-6-4-5-15(10-16)18(19)20/h4-10,13,17H,1-3H3