N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-N-methylsulfonylanilino)butanamide Traditional Name: 4-(4-chloro-N-mesyl-anilino)-N-piperonyl-butyramide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O5S/c1-28(24,25)22(16-7-5-15(20)6-8-16)10-2-3-19(23)21-12-14-4-9-17-18(11-14)27-13-26-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,21,23)