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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]aniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]aniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-[(6-pyrazol-1-yl-3-pyridyl)methyl]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=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-16-4-2-10-25(15-16)32(30,31)18-6-7-19(20(12-18)27(28)29)22-13-17-5-8-21(23-14-17)26-11-3-9-24-26/h3,5-9,11-12,14,16,22H,2,4,10,13,15H2,1H3/t16-/m0/s1