4-chloranyl-N-[4-chloranyl-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-chloranyl-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-chloro-3-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxy-phenyl]-3-nitro-benzenesulfonamide Formula: C17H17Cl2N3O5S MolecularWeight: 446.30498

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17Cl2N3O5S/c1-21-7-6-12(10-21)27-17-8-11(2-4-15(17)19)20-28(25,26)13-3-5-14(18)16(9-13)22(23)24/h2-5,8-9,12,20H,6-7,10H2,1H3