N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-N-methylsulfonylanilino)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-piperonyl-butyramide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

InChI

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