N-methyl-N-[(3-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-2-amine

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-2-amine Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-5-(1-piperidylsulfonyl)pyridin-2-amine CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-5-(1-piperidinylsulfonyl)-2-pyridinamine IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-amine Traditional Name: methyl-(3-nitrobenzyl)-(5-piperidinosulfonyl-2-pyridyl)amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22N4O4S/c1-20(14-15-6-5-7-16(12-15)22(23)24)18-9-8-17(13-19-18)27(25,26)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11,14H2,1H3