N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-ethanamide

Systemtic Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-ethanamide Openeye Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[(1-carbamimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-acetamide CAS Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[(1-carbamimidoyl-4-piperidinyl)oxy]phenyl]sulfonylacetamide IUPAC Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonylacetamide Traditional Name: N-(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[(1-amidino-4-piperidyl)oxy]phenyl]sulfonyl-acetamide Formula: C24H31N7O4S MolecularWeight: 513.61244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC2=C(CCN(C2)C(=N)N)C=C1)S(=O)(=O)C3=CC=C(C=C3)OC4CCN(CC4)C(=N)N

Isomeric SMILES

CC(=O)N(C1=CC2=C(CCN(C2)C(=N)N)C=C1)S(=O)(=O)C3=CC=C(C=C3)OC4CCN(CC4)C(=N)N

InChI

InChI=1S/C24H31N7O4S/c1-16(32)31(19-3-2-17-8-11-30(24(27)28)15-18(17)14-19)36(33,34)22-6-4-20(5-7-22)35-21-9-12-29(13-10-21)23(25)26/h2-7,14,21H,8-13,15H2,1H3,(H3,25,26)(H3,27,28)