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

Systemtic Name: 1-[[4-(1-carbamimidoylpyrrolidin-3-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 1-[[4-(1-carbamimidoylpyrrolidin-3-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 1-[[4-[(1-carbamimidoyl-3-pyrrolidinyl)oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 1-[[4-(1-carbamimidoylpyrrolidin-3-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 1-[[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)NC3C4=CC=CC=C4CCN3C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CC1OC2=CC=C(C=C2)S(=O)(=O)NC3C4=CC=CC=C4CCN3C(=N)N)C(=N)N

InChI

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