N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(1-cyclopropylethyl)-2,3-dimethyl-5-nitro-N-p-anisyl-benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(CC2=CC=C(C=C2)OC)C(C)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(CC2=CC=C(C=C2)OC)C(C)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c1-14-11-19(23(24)25)12-21(15(14)2)29(26,27)22(16(3)18-7-8-18)13-17-5-9-20(28-4)10-6-17/h5-6,9-12,16,18H,7-8,13H2,1-4H3