(2R)-2-[(2-butyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl)methyl-(4-chlorophenyl)sulfonyl-amino]-4-methyl-pentanamide

Systemtic Name: (2R)-2-[(2-butyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl)methyl-(4-chlorophenyl)sulfonyl-amino]-4-methyl-pentanamide Openeye Name: (2R)-2-[(2-butyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methyl-(4-chlorophenyl)sulfonyl-amino]-4-methyl-pentanamide CAS Name: (2R)-2-[(2-butyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide IUPAC Name: (2R)-2-[(2-butyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide Traditional Name: (2R)-2-[(2-butyl-1-keto-3,4-dihydroisoquinolin-6-yl)methyl-(4-chlorophenyl)sulfonyl-amino]-4-methyl-valeramide Formula: C26H34ClN3O4S MolecularWeight: 520.08386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C1=O)C=CC(=C2)CN(C(CC(C)C)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1CCC2=C(C1=O)C=CC(=C2)CN([C@H](CC(C)C)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H34ClN3O4S/c1-4-5-13-29-14-12-20-16-19(6-11-23(20)26(29)32)17-30(24(25(28)31)15-18(2)3)35(33,34)22-9-7-21(27)8-10-22/h6-11,16,18,24H,4-5,12-15,17H2,1-3H3,(H2,28,31)/t24-/m1/s1