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

Systemtic Name: 7-[[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-prop-2-enyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[allyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[4-[[1-(1-iminopropyl)-4-piperidinyl]oxy]phenyl]sulfonyl-prop-2-enylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-prop-2-enylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[allyl-[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(CC=C)C3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(CC=C)C3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

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