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

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(m-tolyl)propyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[3-(m-tolyl)propyl]butyramide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CCCNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-17-6-3-7-18(14-17)8-4-12-23-22(25)9-5-13-24(30(2,26)27)19-10-11-20-21(15-19)29-16-28-20/h3,6-7,10-11,14-15H,4-5,8-9,12-13,16H2,1-2H3,(H,23,25)