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

Systemtic Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(6-imidazol-1-yl-3-pyridyl)methyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: (6-imidazol-1-yl-3-pyridyl)methyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C21H24N6O4S MolecularWeight: 456.51806

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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)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-16-3-2-9-26(14-16)32(30,31)18-5-6-19(20(11-18)27(28)29)23-12-17-4-7-21(24-13-17)25-10-8-22-15-25/h4-8,10-11,13,15-16,23H,2-3,9,12,14H2,1H3/t16-/m0/s1