3-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethylsulfonyl]propanamide Openeye Name: 3-[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]ethylsulfonyl]propanamide CAS Name: 3-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethylsulfonyl]propanamide Traditional Name: 3-[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]ethylsulfonyl]propionamide Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)CCC(=O)N)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCS(=O)(=O)CCC(=O)N)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O5S/c1-16(5-7-23(21,22)6-4-13(15)18)9-10-8-11(17(19)20)2-3-12(10)14/h2-3,8H,4-7,9H2,1H3,(H2,15,18)