2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]-N-(4-pyrrolidinobenzyl)acetamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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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)OCCO4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H27N3O5S/c1-31(27,28)25(19-8-9-20-21(14-19)30-13-12-29-20)16-22(26)23-15-17-4-6-18(7-5-17)24-10-2-3-11-24/h4-9,14H,2-3,10-13,15-16H2,1H3,(H,23,26)