N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: methyl-[4-(methylthio)benzyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c1-20(14-15-5-7-16(27-2)8-6-15)18-10-9-17(13-19(18)22(23)24)28(25,26)21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3