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

Systemtic Name: 7-[[4-(1-carbamimidoylpyrrolidin-3-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[[4-(1-carbamimidoylpyrrolidin-3-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[4-[(1-carbamimidoyl-3-pyrrolidinyl)oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[[4-(1-carbamimidoylpyrrolidin-3-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[[4-(1-amidinopyrrolidin-3-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C21H27N7O3S MolecularWeight: 457.54918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)N

Isomeric SMILES

C1CN(CC1OC2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)N

InChI

InChI=1S/C21H27N7O3S/c22-20(23)27-9-7-14-1-2-16(11-15(14)12-27)26-32(29,30)19-5-3-17(4-6-19)31-18-8-10-28(13-18)21(24)25/h1-6,11,18,26H,7-10,12-13H2,(H3,22,23)(H3,24,25)