N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-[1-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-isoquinolin-2-yl]-2-oxidanylidene-butanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-[1-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-isoquinolin-2-yl]-2-oxidanylidene-butanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-4-[1-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-isoquinolin-2-yl]-2-oxo-butanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-[1-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-isoquinolin-2-yl]-2-oxobutanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-[1-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-isoquinolin-2-yl]-2-oxobutanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-[1-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-isoquinolin-2-yl]-2-keto-butyramide Formula: C30H36N6O4S MolecularWeight: 576.70964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(=O)CCN2C=CC3=CC=CC=C3C2NS(=O)(=O)C4=CC5=CC=CC=C5CC4

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(=O)CCN2C=CC3=CC=CC=C3C2NS(=O)(=O)C4=CC5=CC=CC=C5CC4

InChI

InChI=1S/C30H36N6O4S/c31-30(32)36-15-5-6-21(20-36)19-33-29(38)27(37)14-17-35-16-13-23-8-3-4-10-26(23)28(35)34-41(39,40)25-12-11-22-7-1-2-9-24(22)18-25/h1-4,7-10,13,16,18,21,28,34H,5-6,11-12,14-15,17,19-20H2,(H3,31,32)(H,33,38)