N-(3-chloranyl-4-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzamide Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN2O6S/c1-13-3-5-15(12-18(13)22)23-21(25)14-4-10-20(19(11-14)24(26)27)31(28,29)17-8-6-16(30-2)7-9-17/h3-12H,1-2H3,(H,23,25)