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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-(3-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=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-14-4-3-9-21(13-14)27(25,26)16-6-7-17(18(10-16)22(23)24)20-12-15-5-2-8-19-11-15/h2,5-8,10-11,14,20H,3-4,9,12-13H2,1H3/t14-/m0/s1