1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-(2-methylindolin-1-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-(2-methylindolin-1-yl)-2-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H29N3O3S/c1-18-8-10-21(11-9-18)30(28,29)25-13-5-12-24(14-15-25)17-23(27)26-19(2)16-20-6-3-4-7-22(20)26/h3-4,6-11,19H,5,12-17H2,1-2H3