N-[4-methyl-3-[[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-methyl-3-[[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-methyl-3-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-methyl-3-[[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-methyl-3-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-methyl-3-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O4S/c1-16-9-10-20(24-17(2)27)14-22(16)31(29,30)26-15-19-8-4-3-7-18(19)13-21(26)23(28)25-11-5-6-12-25/h3-4,7-10,14,21H,5-6,11-13,15H2,1-2H3,(H,24,27)/t21-/m0/s1