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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(4-fluorophenyl)methyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[(4-fluorophenyl)methyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: (4-fluorobenzyl)-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C19H22FN3O4S MolecularWeight: 407.459083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O4S/c1-14-3-2-10-22(13-14)28(26,27)17-8-9-18(19(11-17)23(24)25)21-12-15-4-6-16(20)7-5-15/h4-9,11,14,21H,2-3,10,12-13H2,1H3/t14-/m0/s1