N-[2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazolin-6-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazolin-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazolin-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazolin-6-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazolin-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazolin-6-yl]-4-methyl-benzenesulfonamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3CN=C(NC3C=C2)C4=CC=CC(=C4)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3CN=C(NC3C=C2)C4=CC=CC(=C4)C#C

InChI

InChI=1S/C23H21N3O2S/c1-3-17-5-4-6-18(13-17)23-24-15-19-14-20(9-12-22(19)25-23)26-29(27,28)21-10-7-16(2)8-11-21/h1,4-14,19,22,26H,15H2,2H3,(H,24,25)