2-[4-[[(3R)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[(3R)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3R)-6-chlorochromane-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[(3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3R)-6-chlorochroman-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20ClN3O4S/c22-18-5-6-19-16(12-18)11-17(14-29-19)21(26)24-7-9-25(10-8-24)30(27,28)20-4-2-1-3-15(20)13-23/h1-6,12,17H,7-11,14H2/t17-/m1/s1