4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(3-morpholin-4-ylpropyl)-2-nitro-aniline

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(3-morpholin-4-ylpropyl)-2-nitro-aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-N-(3-morpholinopropyl)-2-nitro-aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-N-[3-(4-morpholinyl)propyl]-2-nitroaniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(3-morpholin-4-ylpropyl)-2-nitroaniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-(3-morpholinopropyl)amine Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-16-4-2-9-22(15-16)29(26,27)17-5-6-18(19(14-17)23(24)25)20-7-3-8-21-10-12-28-13-11-21/h5-6,14,16,20H,2-4,7-13,15H2,1H3/t16-/m0/s1