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

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methyl-1-piperazinyl)propyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[3-(4-methylpiperazino)propyl]butyramide Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C20H32N4O5S/c1-22-11-13-23(14-12-22)9-4-8-21-20(25)5-3-10-24(30(2,26)27)17-6-7-18-19(15-17)29-16-28-18/h6-7,15H,3-5,8-14,16H2,1-2H3,(H,21,25)