N-(1,3-benzodioxol-5-yl)-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-N-mesyl-anilino)methyl]benzamide Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H19ClN2O5S/c1-31(27,28)25(19-4-2-3-17(23)11-19)13-15-5-7-16(8-6-15)22(26)24-18-9-10-20-21(12-18)30-14-29-20/h2-12H,13-14H2,1H3,(H,24,26)