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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H22FN3O4S/c1-14-8-10-22(11-9-14)28(26,27)17-6-7-18(19(12-17)23(24)25)21-13-15-2-4-16(20)5-3-15/h2-7,12,14,21H,8-11,13H2,1H3