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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-[(1S)-1-pyridin-2-ylethyl]aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-[(1S)-1-(2-pyridyl)ethyl]aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-[(1S)-1-(2-pyridinyl)ethyl]aniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-[(1S)-1-pyridin-2-ylethyl]aniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-[(1S)-1-(2-pyridyl)ethyl]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)NC(C)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-14-6-5-11-22(13-14)28(26,27)16-8-9-18(19(12-16)23(24)25)21-15(2)17-7-3-4-10-20-17/h3-4,7-10,12,14-15,21H,5-6,11,13H2,1-2H3/t14-,15-/m0/s1