N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-piperonyl-propionamide Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O6S/c1-12(19(23)21-10-13-4-6-17-18(8-13)28-11-27-17)22(29(3,24)25)14-5-7-16(26-2)15(20)9-14/h4-9,12H,10-11H2,1-3H3,(H,21,23)