(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide Openeye Name: (2S)-N-[5-(1-piperidyl)-8-isoquinolyl]-2-(p-tolylsulfonylamino)propanamide CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[5-(1-piperidinyl)-8-isoquinolinyl]propanamide IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide Traditional Name: (2S)-N-(5-piperidino-8-isoquinolyl)-2-(tosylamino)propionamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C24H28N4O3S/c1-17-6-8-19(9-7-17)32(30,31)27-18(2)24(29)26-22-10-11-23(28-14-4-3-5-15-28)20-12-13-25-16-21(20)22/h6-13,16,18,27H,3-5,14-15H2,1-2H3,(H,26,29)/t18-/m0/s1