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

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(1-pyrrolidinyl)propyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(3-pyrrolidinopropyl)butyramide Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCCCN1CCCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCCCN1CCCC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H29N3O5S/c1-28(24,25)22(16-7-8-17-18(14-16)27-15-26-17)13-4-6-19(23)20-9-5-12-21-10-2-3-11-21/h7-8,14H,2-6,9-13,15H2,1H3,(H,20,23)