2-[(6-chloranyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 2-[(6-chloranyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzenecarbonitrile Openeye Name: 2-[(6-chloro-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzonitrile CAS Name: 2-[[6-chloro-8-(1-piperazinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzonitrile IUPAC Name: 2-[(6-chloro-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzonitrile Traditional Name: 2-[(6-chloro-8-piperazino-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzonitrile Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=CC3=C2OCCN3S(=O)(=O)C4=CC=CC=C4C#N)Cl

Isomeric SMILES

C1CN(CCN1)C2=CC(=CC3=C2OCCN3S(=O)(=O)C4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C19H19ClN4O3S/c20-15-11-16(23-7-5-22-6-8-23)19-17(12-15)24(9-10-27-19)28(25,26)18-4-2-1-3-14(18)13-21/h1-4,11-12,22H,5-10H2