N-(isoquinolin-1-ylmethyl)-2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(isoquinolin-1-ylmethyl)-2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[benzenesulfonyl(benzyl)amino]-N-(1-isoquinolylmethyl)acetamide CAS Name: 2-[benzenesulfonyl-(phenylmethyl)amino]-N-(1-isoquinolinylmethyl)acetamide IUPAC Name: 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide Traditional Name: 2-[benzyl(besyl)amino]-N-(1-isoquinolylmethyl)acetamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)NCC2=NC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)NCC2=NC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c29-25(27-17-24-23-14-8-7-11-21(23)15-16-26-24)19-28(18-20-9-3-1-4-10-20)32(30,31)22-12-5-2-6-13-22/h1-16H,17-19H2,(H,27,29)