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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CC(OC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CC(OC(C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O5S/c1-16-6-4-11-24(13-16)31(28,29)19-7-8-20(21(12-19)25(26)27)22-9-5-10-23-14-17(2)30-18(3)15-23/h7-8,12,16-18,22H,4-6,9-11,13-15H2,1-3H3