2,2-dimethyl-4-[1-(phenylsulfonyl)indol-2-yl]-1,3-benzoxazine-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-[1-(phenylsulfonyl)indol-2-yl]-1,3-benzoxazine-6-carbonitrile Openeye Name: 4-[1-(benzenesulfonyl)indol-2-yl]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile CAS Name: 4-[1-(benzenesulfonyl)-2-indolyl]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile IUPAC Name: 4-[1-(benzenesulfonyl)indol-2-yl]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Traditional Name: 4-(1-besylindol-2-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C25H19N3O3S/c1-25(2)27-24(20-14-17(16-26)12-13-23(20)31-25)22-15-18-8-6-7-11-21(18)28(22)32(29,30)19-9-4-3-5-10-19/h3-15H,1-2H3