3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H28N4O3S/c30-28(31)24-11-5-6-20(16-24)17-27(29(34)33-15-14-22-8-2-4-10-25(22)19-33)32-37(35,36)26-13-12-21-7-1-3-9-23(21)18-26/h1-13,16,18,27,32H,14-15,17,19H2,(H3,30,31)/t27-/m0/s1