2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(1-piperidylsulfonyl)pyridine CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-5-piperidinosulfonyl-pyridine Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O4S2/c1-14-15(6-5-7-17(14)21(22)23)13-26-18-9-8-16(12-19-18)27(24,25)20-10-3-2-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3