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

Systemtic Name: 4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(4-allyloxyphenyl)methyl-methyl-amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(4-allyloxybenzyl)-methyl-amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-5-12-28-17-8-6-16(7-9-17)14-22(4)19-11-10-18(13-20(19)23(24)25)29(26,27)21-15(2)3/h5-11,13,15,21H,1,12,14H2,2-4H3