4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methoxyphenyl)ethyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methoxyphenyl)ethyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methoxyphenyl)ethyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methoxyphenyl)ethyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methoxyphenyl)ethyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[1-(4-methoxyphenyl)ethyl]butyramide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)NC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)NC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S/c1-15(16-6-9-18(27-2)10-7-16)22-21(24)5-4-12-23(30(3,25)26)17-8-11-19-20(13-17)29-14-28-19/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,24)