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

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

Isomeric SMILES

CC(=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/C26H34N6O3S/c1-3-13-32(22-5-4-20-10-14-31(26(28)29)18-21(20)17-22)36(33,34)25-8-6-23(7-9-25)35-24-11-15-30(16-12-24)19(2)27/h3-9,17,24,27H,1,10-16,18H2,2H3,(H3,28,29)