N-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: N-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: N-methyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: N-methyl-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: N-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: methyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-15-5-4-10-22(13-15)28(26,27)17-7-8-18(19(11-17)23(24)25)21(2)14-16-6-3-9-20-12-16/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3/t15-/m0/s1