6-bromanyl-7-[3-(1H-indol-2-yl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-bromanyl-7-[3-(1H-indol-2-yl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-bromo-7-[[3-(1H-indol-2-yl)-1-piperidyl]sulfonyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-bromo-7-[[3-(1H-indol-2-yl)-1-piperidinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-bromo-7-[3-(1H-indol-2-yl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-bromo-7-[3-(1H-indol-2-yl)piperidino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C21H20BrN3O4S/c22-15-9-18-19(29-12-21(26)24-18)10-20(15)30(27,28)25-7-3-5-14(11-25)17-8-13-4-1-2-6-16(13)23-17/h1-2,4,6,8-10,14,23H,3,5,7,11-12H2,(H,24,26)