4-(3-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-nitro-aniline Openeye Name: 4-[(3-methyl-1-piperidyl)sulfonyl]-N-[(6-morpholino-3-pyridyl)methyl]-2-nitro-aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-2-nitroaniline IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-nitroaniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-[(6-morpholino-3-pyridyl)methyl]amine Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c1-17-3-2-8-26(16-17)33(30,31)19-5-6-20(21(13-19)27(28)29)23-14-18-4-7-22(24-15-18)25-9-11-32-12-10-25/h4-7,13,15,17,23H,2-3,8-12,14,16H2,1H3