N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[2-(2-thienyl)-2-tosyl-ethyl]benzenesulfonamide Formula: C19H18N2O6S3 MolecularWeight: 466.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C19H18N2O6S3/c1-14-7-9-16(10-8-14)29(24,25)19(18-6-3-11-28-18)13-20-30(26,27)17-5-2-4-15(12-17)21(22)23/h2-12,19-20H,13H2,1H3