7-[[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: 7-[[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[[4-[(1-carbamimidoyl-4-piperidyl)oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[4-[(1-carbamimidoyl-4-piperidinyl)oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[[4-[(1-amidino-4-piperidyl)oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C22H29N7O3S MolecularWeight: 471.57576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)N

InChI

InChI=1S/C22H29N7O3S/c23-21(24)28-11-8-19(9-12-28)32-18-3-5-20(6-4-18)33(30,31)27-17-2-1-15-7-10-29(22(25)26)14-16(15)13-17/h1-6,13,19,27H,7-12,14H2,(H3,23,24)(H3,25,26)