3-(cyclopropylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(cyclopropylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(cyclopropylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(cyclopropylmethylamino)-N-[3-(methylthio)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(cyclopropylmethylamino)-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(cyclopropylmethylamino)-N-[3-(methylthio)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4CC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4CC4

InChI

InChI=1S/C22H27N3O3S2/c1-29-20-6-4-5-18(13-20)24-22(26)17-11-19(23-15-16-7-8-16)14-21(12-17)30(27,28)25-9-2-3-10-25/h4-6,11-14,16,23H,2-3,7-10,15H2,1H3,(H,24,26)