2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide CAS Name: 2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetamide Traditional Name: N-benzyl-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H23N3O4S/c1-32-22-12-10-21(11-13-22)28(18-25(29)27-16-19-6-3-2-4-7-19)33(30,31)24-9-5-8-20-17-26-15-14-23(20)24/h2-15,17H,16,18H2,1H3,(H,27,29)