2-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3R)-chromane-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3R)-chroman-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N3O4S/c22-14-17-6-2-4-8-20(17)29(26,27)24-11-9-23(10-12-24)21(25)18-13-16-5-1-3-7-19(16)28-15-18/h1-8,18H,9-13,15H2/t18-/m1/s1