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

Systemtic Name: 7-[cyclopropyl-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[cyclopropyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[cyclopropyl-[4-[[1-(1-iminopropyl)-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[cyclopropyl-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[cyclopropyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C27H36N6O3S MolecularWeight: 524.67814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C27H36N6O3S/c1-2-26(28)31-15-12-24(13-16-31)36-23-7-9-25(10-8-23)37(34,35)33(21-5-6-21)22-4-3-19-11-14-32(27(29)30)18-20(19)17-22/h3-4,7-10,17,21,24,28H,2,5-6,11-16,18H2,1H3,(H3,29,30)