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

Systemtic Name: 2-[4-[(6-chloranyl-2H-chromen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(6-chloro-2H-1-benzopyran-3-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18ClN3O4S/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/h1-6,11-12H,7-10,14H2