2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H29N3O4S/c1-18-6-5-14-27(17-18)33(31,32)22-11-9-21(10-12-22)26-25(30)16-24-23-8-4-3-7-20(23)13-15-28(24)19(2)29/h3-4,7-13,15,18,24H,5-6,14,16-17H2,1-2H3,(H,26,30)/t18-,24-/m0/s1