4-chloranyl-N-[3-(cyclopropylamino)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(cyclopropylamino)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(cyclopropylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(cyclopropylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(cyclopropylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(cyclopropylamino)propyl]-3-nitro-benzenesulfonamide Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClN3O4S/c13-11-5-4-10(8-12(11)16(17)18)21(19,20)15-7-1-6-14-9-2-3-9/h4-5,8-9,14-15H,1-3,6-7H2