N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[3-(2,6-dimethyl-4-morpholinyl)propyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 3-(2,6-dimethylmorpholino)propyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H33N5O5S MolecularWeight: 455.57152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H33N5O5S/c1-16-14-23(15-17(2)30-16)8-4-7-21-19-6-5-18(13-20(19)25(26)27)31(28,29)24-11-9-22(3)10-12-24/h5-6,13,16-17,21H,4,7-12,14-15H2,1-3H3