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

Systemtic Name: 7-[[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[benzyl-[4-[(1-carbamimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[4-[(1-carbamimidoyl-4-piperidinyl)oxy]phenyl]sulfonyl-(phenylmethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[benzyl-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[[4-[(1-amidino-4-piperidyl)oxy]phenyl]sulfonyl-benzyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C29H35N7O3S MolecularWeight: 561.6983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC5=C(CCN(C5)C(=N)N)C=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC5=C(CCN(C5)C(=N)N)C=C4)C(=N)N

InChI

InChI=1S/C29H35N7O3S/c30-28(31)34-16-13-26(14-17-34)39-25-8-10-27(11-9-25)40(37,38)36(19-21-4-2-1-3-5-21)24-7-6-22-12-15-35(29(32)33)20-23(22)18-24/h1-11,18,26H,12-17,19-20H2,(H3,30,31)(H3,32,33)