N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline

Systemtic Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline IUPAC Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline Traditional Name: (4-allyloxybenzyl)-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)OCC=C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)OCC=C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-4-15-31-19-7-5-18(6-8-19)17-24(3)21-10-9-20(16-22(21)26(27)28)32(29,30)25-13-11-23(2)12-14-25/h4-10,16H,1,11-15,17H2,2-3H3