2-chloranyl-5-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-5-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Openeye Name: 2-chloro-N-[3-(isopropylamino)propyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-5-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide IUPAC Name: 2-chloro-5-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Traditional Name: 2-chloro-N-[3-(isopropylamino)propyl]-5-nitro-benzenesulfonamide Formula: C12H18ClN3O4S MolecularWeight: 335.80702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)NCCCNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H18ClN3O4S/c1-9(2)14-6-3-7-15-21(19,20)12-8-10(16(17)18)4-5-11(12)13/h4-5,8-9,14-15H,3,6-7H2,1-2H3