3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-[3-(methylthio)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-[3-(methylthio)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H29N3O5S2/c1-36-23-6-4-5-21(16-23)29-27(31)20-14-22(17-24(15-20)37(32,33)30-9-2-3-10-30)28-18-19-7-8-25-26(13-19)35-12-11-34-25/h4-8,13-17,28H,2-3,9-12,18H2,1H3,(H,29,31)