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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)sulfonyl-methyl-amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)sulfonyl-methyl-amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide Traditional Name: 4-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-piperonyl-benzamide Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

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