3-(2-tert-butyl-4,5-dihydro-1,3-dioxepin-5-yl)-1-(phenylsulfonyl)indole

Systemtic Name: 3-(2-tert-butyl-4,5-dihydro-1,3-dioxepin-5-yl)-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-3-(2-tert-butyl-4,5-dihydro-1,3-dioxepin-5-yl)indole CAS Name: 1-(benzenesulfonyl)-3-(2-tert-butyl-4,5-dihydro-1,3-dioxepin-5-yl)indole IUPAC Name: 1-(benzenesulfonyl)-3-(2-tert-butyl-4,5-dihydro-1,3-dioxepin-5-yl)indole Traditional Name: 1-besyl-3-(2-tert-butyl-4,5-dihydro-1,3-dioxepin-5-yl)indole Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1OCC(C=CO1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1OCC(C=CO1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25NO4S/c1-23(2,3)22-27-14-13-17(16-28-22)20-15-24(21-12-8-7-11-19(20)21)29(25,26)18-9-5-4-6-10-18/h4-15,17,22H,16H2,1-3H3