N-methyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-allyloxyphenyl)methyl-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-allyloxybenzyl)-methyl-amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)OCC=C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)OCC=C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-4-11-26-15-7-5-14(6-8-15)13-20(3)17-10-9-16(27(24,25)19-2)12-18(17)21(22)23/h4-10,12,19H,1,11,13H2,2-3H3