N'-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-1-(2-hydroxyethylamino)-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: N'-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-1-(2-hydroxyethylamino)-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: N'-[4-[(1-carbamimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-1-(2-hydroxyethylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: N'-[4-[(1-carbamimidoyl-4-piperidinyl)oxy]phenyl]sulfonyl-1-(2-hydroxyethylamino)-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: N'-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-1-(2-hydroxyethylamino)-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: N'-[4-[(1-amidino-4-piperidyl)oxy]phenyl]sulfonyl-1-(2-hydroxyethylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C24H33N7O4S MolecularWeight: 515.62832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)N=C(N)N3CCC4=CC=CC=C4C3NCCO)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)/N=C(\N)/N3CCC4=CC=CC=C4C3NCCO)C(=N)N

InChI

InChI=1S/C24H33N7O4S/c25-23(26)30-13-10-19(11-14-30)35-18-5-7-20(8-6-18)36(33,34)29-24(27)31-15-9-17-3-1-2-4-21(17)22(31)28-12-16-32/h1-8,19,22,28,32H,9-16H2,(H3,25,26)(H2,27,29)