N-[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-chloro-4-(2-oxo-1-pyrrolidinyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-chloro-4-(2-ketopyrrolidino)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCCC3=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCCC3=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5S/c1-11-4-6-13(10-16(11)21(23)24)27(25,26)19-12-5-7-15(14(18)9-12)20-8-2-3-17(20)22/h4-7,9-10,19H,2-3,8H2,1H3