N-[1-(4-butan-2-ylphenyl)ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[1-(4-sec-butylphenyl)ethyl]benzenesulfonamide CAS Name: N-[1-(4-butan-2-ylphenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[1-(4-sec-butylphenyl)ethyl]benzenesulfonamide Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-4-13(2)15-8-10-16(11-9-15)14(3)19-25(23,24)18-7-5-6-17(12-18)20(21)22/h5-14,19H,4H2,1-3H3