2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c1-30(26,27)24(18-8-9-19-20(12-18)29-15-28-19)14-21(25)22-13-16-4-6-17(7-5-16)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-15H2,1H3,(H,22,25)