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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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