N-[3-(dimethylamino)phenyl]-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)phenyl]-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)phenyl]-3-[[5-(hydroxymethyl)-2-furyl]methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)phenyl]-3-[[5-(hydroxymethyl)-2-furanyl]methylamino]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(dimethylamino)phenyl]-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)phenyl]-3-[(5-methylol-2-furyl)methylamino]-5-pyrrolidinosulfonyl-benzamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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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)NCC4=CC=C(O4)CO

Isomeric SMILES

CN(C)C1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC=C(O4)CO

InChI

InChI=1S/C25H30N4O5S/c1-28(2)21-7-5-6-19(14-21)27-25(31)18-12-20(26-16-22-8-9-23(17-30)34-22)15-24(13-18)35(32,33)29-10-3-4-11-29/h5-9,12-15,26,30H,3-4,10-11,16-17H2,1-2H3,(H,27,31)