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

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: dimethyl-[2-[(2-nitro-4-pyrrolidinosulfonyl-anilino)methyl]benzyl]amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-22(2)15-17-8-4-3-7-16(17)14-21-19-10-9-18(13-20(19)24(25)26)29(27,28)23-11-5-6-12-23/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3