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

Systemtic Name: 7-[cyclopropyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[cyclopropyl-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[cyclopropyl-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[cyclopropyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-cyclopropyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C26H34N6O3S MolecularWeight: 510.65156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(C3CC3)C4=CC5=C(CCN(C5)C(=N)N)C=C4

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(C3CC3)C4=CC5=C(CCN(C5)C(=N)N)C=C4

InChI

InChI=1S/C26H34N6O3S/c1-18(27)30-14-11-24(12-15-30)35-23-6-8-25(9-7-23)36(33,34)32(21-4-5-21)22-3-2-19-10-13-31(26(28)29)17-20(19)16-22/h2-3,6-9,16,21,24,27H,4-5,10-15,17H2,1H3,(H3,28,29)