7-[2-hydroxyethyl-[4-[1-(C-thiophen-2-ylcarbonimidoyl)piperidin-4-yl]oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: 7-[2-hydroxyethyl-[4-[1-(C-thiophen-2-ylcarbonimidoyl)piperidin-4-yl]oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[2-hydroxyethyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[2-hydroxyethyl-[4-[[1-[imino(thiophen-2-yl)methyl]-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[2-hydroxyethyl-[4-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[2-hydroxyethyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C28H34N6O4S2 MolecularWeight: 582.73736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)N(CCO)C3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)N(CCO)C3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)C5=CC=CS5

InChI

InChI=1S/C28H34N6O4S2/c29-27(26-2-1-17-39-26)32-13-10-24(11-14-32)38-23-5-7-25(8-6-23)40(36,37)34(15-16-35)22-4-3-20-9-12-33(28(30)31)19-21(20)18-22/h1-8,17-18,24,29,35H,9-16,19H2,(H3,30,31)