N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline

Systemtic Name: N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-methyl-4-(4-morpholinylsulfonyl)-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline IUPAC Name: N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline Traditional Name: (4-allyloxybenzyl)-methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-3-12-30-18-6-4-17(5-7-18)16-22(2)20-9-8-19(15-21(20)24(25)26)31(27,28)23-10-13-29-14-11-23/h3-9,15H,1,10-14,16H2,2H3