N-[(3-chlorophenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (3-chlorobenzyl)-methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4S/c1-20(13-14-5-4-6-15(19)11-14)17-8-7-16(12-18(17)22(23)24)27(25,26)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3