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

Systemtic Name: 7-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[benzyl-[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-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[benzyl-[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-benzyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C30H36N6O3S MolecularWeight: 560.71024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)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(CC3=CC=CC=C3)C4=CC5=C(CCN(C5)C(=N)N)C=C4

InChI

InChI=1S/C30H36N6O3S/c1-22(31)34-17-14-28(15-18-34)39-27-9-11-29(12-10-27)40(37,38)36(20-23-5-3-2-4-6-23)26-8-7-24-13-16-35(30(32)33)21-25(24)19-26/h2-12,19,28,31H,13-18,20-21H2,1H3,(H3,32,33)