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

Systemtic Name: 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline Openeye Name: 4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-(2-pyridylmethyl)aniline CAS Name: 4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-(2-pyridinylmethyl)aniline IUPAC Name: 4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline Traditional Name: [4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-(2-pyridylmethyl)amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-14-5-4-10-21(13-14)27(25,26)16-7-8-17(18(11-16)22(23)24)20-12-15-6-2-3-9-19-15/h2-3,6-9,11,14,20H,4-5,10,12-13H2,1H3/t14-/m1/s1