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

Systemtic Name: 7-[cyclopropyl-[4-[1-(C-thiophen-2-ylcarbonimidoyl)piperidin-4-yl]oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[cyclopropyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[cyclopropyl-[4-[[1-[imino(thiophen-2-yl)methyl]-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[cyclopropyl-[4-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[cyclopropyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C29H34N6O3S2 MolecularWeight: 578.74866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2=CC3=C(CCN(C3)C(=N)N)C=C2)S(=O)(=O)C4=CC=C(C=C4)OC5CCN(CC5)C(=N)C6=CC=CS6

Isomeric SMILES

C1CC1N(C2=CC3=C(CCN(C3)C(=N)N)C=C2)S(=O)(=O)C4=CC=C(C=C4)OC5CCN(CC5)C(=N)C6=CC=CS6

InChI

InChI=1S/C29H34N6O3S2/c30-28(27-2-1-17-39-27)33-15-12-25(13-16-33)38-24-7-9-26(10-8-24)40(36,37)35(22-5-6-22)23-4-3-20-11-14-34(29(31)32)19-21(20)18-23/h1-4,7-10,17-18,22,25,30H,5-6,11-16,19H2,(H3,31,32)