4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)-3-nitro-benzamide

Systemtic Name: 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)-3-nitro-benzamide Openeye Name: 4-(2-chlorophenyl)sulfonyl-N-isopentyl-3-nitro-benzamide CAS Name: 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)-3-nitrobenzamide Traditional Name: 4-(2-chlorophenyl)sulfonyl-N-isoamyl-3-nitro-benzamide Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O5S/c1-12(2)9-10-20-18(22)13-7-8-17(15(11-13)21(23)24)27(25,26)16-6-4-3-5-14(16)19/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)