3-azanyl-6-(4-azanylpiperidin-1-yl)-4-[2-(phenylsulfonylamino)ethoxy]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-[2-(phenylsulfonylamino)ethoxy]-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-[2-(benzenesulfonamido)ethoxy]benzothiophene-2-carboxamide CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-[2-(benzenesulfonamido)ethoxy]-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-[2-(benzenesulfonamido)ethoxy]-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-6-(4-aminopiperidino)-4-[2-(benzenesulfonamido)ethoxy]benzothiophene-2-carboxamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCCNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O4S2/c23-14-6-9-27(10-7-14)15-12-17(19-18(13-15)32-21(20(19)24)22(25)28)31-11-8-26-33(29,30)16-4-2-1-3-5-16/h1-5,12-14,26H,6-11,23-24H2,(H2,25,28)