5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]oxazole-4-carbonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C25H26N4O3S/c1-18-5-4-13-29(16-18)33(30,31)22-10-8-20(9-11-22)24-27-23(15-26)25(32-24)28-14-12-19-6-2-3-7-21(19)17-28/h2-3,6-11,18H,4-5,12-14,16-17H2,1H3/t18-/m0/s1