5-[(3S)-3-propan-2-ylpiperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[(3S)-3-propan-2-ylpiperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[(3S)-3-isopropylpiperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[(3S)-3-propan-2-yl-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[(3S)-3-propan-2-ylpiperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[(3S)-3-isopropylpiperazino]sulfonylisoquinoline Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)[C@H]1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H21N3O2S/c1-12(2)15-11-19(9-8-18-15)22(20,21)16-5-3-4-13-10-17-7-6-14(13)16/h3-7,10,12,15,18H,8-9,11H2,1-2H3/t15-/m1/s1