2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-isopropyl-acetamide CAS Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide Traditional Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-isopropyl-acetamide Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC(=O)NC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC(=O)NC(C)C)Cl

InChI

InChI=1S/C13H18ClN3O5S/c1-8(2)15-13(18)7-16(4)23(21,22)10-5-11(14)9(3)12(6-10)17(19)20/h5-6,8H,7H2,1-4H3,(H,15,18)