N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(4-chlorophenyl)thio]-3-nitro-N-piperonyl-benzamide Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O5S/c22-15-3-5-16(6-4-15)30-20-8-2-14(10-17(20)24(26)27)21(25)23-11-13-1-7-18-19(9-13)29-12-28-18/h1-10H,11-12H2,(H,23,25)