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

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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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)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19N3O4S2/c1-13-14(5-4-6-16(13)20(21)22)12-25-17-8-7-15(11-18-17)26(23,24)19-9-2-3-10-19/h4-8,11H,2-3,9-10,12H2,1H3