3-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-veratryl-benzenesulfonamide Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-10-13(17)7-12(8-14(10)19(20)21)26(22,23)18-9-11-4-5-15(24-2)16(6-11)25-3/h4-8,18H,9H2,1-3H3