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

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: (4-ethylbenzyl)-methyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O4S/c1-3-16-6-8-17(9-7-16)15-21(2)19-11-10-18(23(24)25)14-20(19)28(26,27)22-12-4-5-13-22/h6-11,14H,3-5,12-13,15H2,1-2H3