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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide Traditional Name: 2-(5-chloro-N-mesyl-2-methyl-anilino)-N-piperonyl-propionamide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

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