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

Systemtic Name: N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[3-(2,6-dimethyl-4-morpholinyl)propyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 3-(2,6-dimethylmorpholino)propyl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C21H34N4O5S MolecularWeight: 454.58346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CC(OC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CC(OC(C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O5S/c1-16-7-11-24(12-8-16)31(28,29)19-5-6-20(21(13-19)25(26)27)22-9-4-10-23-14-17(2)30-18(3)15-23/h5-6,13,16-18,22H,4,7-12,14-15H2,1-3H3