N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: N-methyl-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: N-methyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: methyl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

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