3-[2,3-bis(oxidanyl)propylamino]-N-[3-(dimethylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-[2,3-bis(oxidanyl)propylamino]-N-[3-(dimethylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(2,3-dihydroxypropylamino)-N-[3-(dimethylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(2,3-dihydroxypropylamino)-N-[3-(dimethylamino)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(2,3-dihydroxypropylamino)-N-[3-(dimethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)phenyl]-3-(glycerylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC(CO)O

Isomeric SMILES

CN(C)C1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC(CO)O

InChI

InChI=1S/C22H30N4O5S/c1-25(2)19-7-5-6-17(12-19)24-22(29)16-10-18(23-14-20(28)15-27)13-21(11-16)32(30,31)26-8-3-4-9-26/h5-7,10-13,20,23,27-28H,3-4,8-9,14-15H2,1-2H3,(H,24,29)